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REFCODE: AYAQUP
Authors/Journal
Authors: iamzifengmu
Journal: CSD Communication(Private Communication) , , , 2021
Chemical
Formula: C18 H14 N2 O4,C16 H10
Name: 2,7-diethylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-
tetrone pyrene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.04
Temperature: 294
Density (CCDC): 1.401
Density (author): 1.401
Intensity Meas: 3
Disorder:
Extra Information: 294 K
CCDC Notes:
REFCODE: AYAREA
Authors/Journal
Authors: iamzifengmu
Chemical
Name: 2,7-diethylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-
tetrone coronene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 11.2
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BAJXAP
Authors/Journal
Authors: P.P.Bag
Journal: Eng. Sci. , 15, 129, 2021
Chemical
Formula: C8 H6 O4,2(C6 H7 N3 O1)
Name: bis(pyridine-4-carbohydrazide) benzene-1,3-dicarboxylic acid
Synonym: bis(isoniazid) isophthalic acid
Source:
Melting Point:
Colour: colorless
Extra Information: isoniazid is an antibiotic used for the treatment of
tuberculosis
Experimental
R-Factor (%): 5.04
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAGQIO
Authors/Journal
Authors: M.Raduca, A.M.Madalan
Journal: Crystals , 11, 1217, 2021
Chemical
Formula: C20 H12 O5,0.5(C10 H8 N2)
Name: 3',6'-dihydroxy-3H-spiro[[2]benzofuran-1,9'-xanthen]-3-one
hemikis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.03
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAGWUG
Authors/Journal
Authors: M.Benito, Y.Rosello, M.Barcelo-Oliver, A.Frontera, E.Molins
Journal: Int.J.Mol.Sci. , 22, 10663, 2021
Chemical
Formula: 2(C6 H8 N2 O2),C6 F4 I2
Name: bis(1-ethylpyrimidine-2,4(1H,3H)-dione) 1,2,4,5-tetrafluoro-
3,6-diiodobenzene
Synonym: bis(1-ethyluracil) 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.4
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAGXAN
Authors/Journal
Chemical
Name: bis(5-methylpyrimidine-2,4(1H,3H)-dione) 1,2,4,5-tetrafluoro-
3,6-diiodobenzene
Synonym: bis(5-methyluracil) 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.07
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAGXER
Authors/Journal
Chemical
Formula: C6 F4 I2,4(C4 H3 F1 N2 O2)
Name: tetrakis(5-fluoropyrimidine-2,4(1H,3H)-dione) 1,2,4,5-
tetrafluoro-3,6-diiodobenzene
Synonym: tetrakis(5-fluorouracil) 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.34
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAQPIX
Authors/Journal
Authors: P.Mahalakshmi, V.Balraj, P.Murugasen, G.Vinitha, V.Ragavendran
Journal: J.Mol.Struct. , 1247, 131362, 2021
Chemical
Formula: C6 H7 N3 O1,2(C6 H5 N1 O3)
Name: pyridine-4-carbohydrazide bis(4-nitrophenol)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.67
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FANSOG
Authors/Journal
Authors: T.A.Vaganova, E.Benassi, Y.V.Gatilov, I.P.Chuikov,
D.P.Pishchur, E.V.Malykhin
Journal: CrystEngComm , 24, 987, 2022
Chemical
Formula: C12 H24 O6,2(C7 H2 Cl1 F3 N2)
Name: bis(2-amino-4-chloro-3,5,6-trifluorobenzonitrile) 18-crown-6
Synonym:
Source:
Melting Point: 371 K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.55
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FANSUM
Authors/Journal
Authors: T.A.Vaganova, E.Benassi, Y.V.Gatilov, I.P.Chuikov,
Chemical
Name: bis(2-amino-4-chloro-3,6-difluorobenzonitrile) 18-crown-6
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAQKOB
Authors/Journal
Authors: Zeen Yang, Yinghong Yang, Mengyuan Xia, Wenjuan Dai, Bingqing
Zhu, Xuefeng Mei
Journal: Int.J.Pharm. , 614, 121460, 2022
Chemical
Formula: 2(C26 H33 N1 O2),C6 H6 O6
Name: prop-1-ene-1,2,3-tricarboxylic acid bis(17-(pyridin-3-
yl)androsta-5,16-dien-3-yl acetate)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.87
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAVVUX
Authors/Journal
Authors: J.Hitchen, I.Andrusenko, C.L.Hall, E.Mugnaioli, J.Potticary,
M.Gemmi, S.R.Hall
Journal: Cryst.Growth Des. , 22, 1155, 2022
Chemical
Formula: C8 H9 N1 O2,C12 H4 N4
Name: N-(2-hydroxyphenyl)acetamide 2,2'-(cyclohexa-2,5-diene-1,4-
diylidene)dipropanedinitrile
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 29.96
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: electron; 293 K
CCDC Notes: 3DED electron diffraction
REFCODE: FAVWAE
Authors/Journal
Authors: J.Hitchen, I.Andrusenko, C.L.Hall, E.Mugnaioli, J.Potticary,
M.Gemmi, S.R.Hall
Chemical
Name: N-(2-hydroxyphenyl)acetamide benzene-1,2,4,5-tetracarbonitrile
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 30.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: 3DED electron diffraction
REFCODE: GARYEH
Authors/Journal
Authors: R.L.Carneiro, C.C.de Melo, B.R.de Alvarenga, B.C.D.Owoyemi,
J.Ellena, C.CP da Silva
Journal: J.Mol.Struct. , , 132052, 2021
Chemical
Formula: C9 H8 O4,C4 H4 F1 N3 O1
Name: 2-(acetyloxy)benzoic acid 4-amino-5-fluoropyrimidin-2(1H)-one
Synonym:
Source:
Melting Point:
Colour: light colorless
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAVJIA
Authors/Journal
Authors: K.Wzgarda-Raj, A.J.Rybarczyk-Pirek, S.Wojtulewski, M.Palusiak
Journal: Acta Crystallogr.,Sect.C:Cryst.Struct.Chem. , 78, 7, 2022
Chemical
Formula: C6 H6 N2 O4 S1,C5 H4 N2 O3
Name: 4-nitrobenzene-1-sulfonamide 4-nitropyridine N-oxide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAHYAU
Authors/Journal
Authors: Yuanyuan Jiang, Zongwei Yang, Jiali Guo, Hongzhen Li, Yijing
Liu, Yanzhi Guo, Menglong Li, Xuemei Pu
Chemical
Formula: C6 H6 N12 O12,C4 H5 N3 O2
Name: 1,3,4,7,8,10-hexanitro-octahydro-1H-5,2,6-
(epiminomethanetriylimino)imidazo[4,5-b]pyrazine 1-methyl-4-nitro-1H-pyrazole
Synonym: hexanitrohexa-azaisowurtzitane 1-methyl-4-nitropyrazole; CL-20
1-methyl-4-nitropyrazole
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HARCAI
Authors/Journal
Authors: Lan Fang, Yiming Ma, Yuntian Xiao, Zhonghua Li, Zhenguo Gao,
Songgu Wu, S.Rohani, Junbo Gong
Journal: Cryst.Growth Des. , , , 2022
Chemical
Formula: 0.5(C10 H8 N2),C8 H6 Cl2 O3
Name: (2,4-dichlorophenoxy)acetic acid hemikis(2,2'-bipyridine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.53
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: 293.1 K
CCDC Notes:
REFCODE: HARJET
Authors/Journal
Authors: Lu Liu, Yue-Ming Yu, Fan-Zhi Bu, Yan-Tuan Li, Cui-Wei Yan,
Zhi-Yong Wu
Chemical
Formula: C12 H9 N3 O1,C9 H10 O5
Name: 4-hydroxy-3,5-dimethoxybenzoic acid 2-methyl-6-oxo-1,6-
dihydro[3,4'-bipyridine]-5-carbonitrile
Synonym: milrinone syringate acid
Source:
Melting Point: 525.65 K
Colour:
Extra Information: milrinone is a treatment for heart failure
Experimental
R-Factor (%): 4.24
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAJYIG
Authors/Journal
Authors: Xuejuan Yang, Jianhong Zhu, Zhuoran Chen, Bin Chen, Shouwen
Jin, Bin Liu, Daqi Wang
Chemical
Formula: C6 H4 Cl1 N1 O3,C5 H5 N3 O1
Name: pyrazine-2-carboxamide 2-chloro-4-nitrophenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.66
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAJYOM
Authors/Journal
Chemical
Formula: C9 H8 O3,C5 H5 N3 O1
Name: 3-(2-hydroxyphenyl)prop-2-enoic acid pyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.28
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAJYUS
Authors/Journal
Chemical
Name: 3-(4-hydroxyphenyl)prop-2-enoic acid pyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.15
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAJZIH
Authors/Journal
Chemical
Name: 5-hydroxybenzene-1,3-dicarboxylic acid pyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 12.17
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAJZON
Authors/Journal
Chemical
Formula: C6 H4 O4 S1,C5 H5 N3 O1
Name: thiophene-2,5-dicarboxylic acid pyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.22
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAMYOP
Authors/Journal
Authors: V.Ferretti, A.Dalpiaz, V.Bertolasi, L.Ferraro, S.Beggiato,
F.Spizzo, E.Spisni, B.Pavan
Journal: Mol.Pharmaceutics , 12, 1501, 2015
Chemical
Name: (1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl)acetic
acid 4-methylpyridin-2(1H)-one
Synonym: indomethacin 4-methylpyridin-2(1H)-one
Source:
Melting Point:
Colour: colorless
Extra Information: indomethacin is a nonsteroidal anti-inflammatory drug
Experimental
R-Factor (%): 5.58
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAMYUV
Authors/Journal
Chemical
acid 2-methoxy-5-nitroaniline
Synonym: indomethacin 2-methoxy-5-nitroaniline
Source:
Melting Point:
Colour: yellow
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAMZEG
Authors/Journal
Chemical
acid 1-oxopyridine
Synonym: indomethacin pyridine-N-oxide
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.77
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGIMID
Authors/Journal
Authors: E.A.Chulanova, E.A.Radiush, I.K.Shindrina, I.Yu.Bagryanskaya,
N.A.Semenov, J.Beckmann, N.P.Gritsan, A.V.Zibarev
Chemical
Formula: C12 H24 O6,C2 N4 S2
Name: [1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolo 18-crown-6
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.12
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGINIE
Authors/Journal
Authors: E.A.Chulanova, E.A.Radiush, I.K.Shindrina, I.Yu.Bagryanskaya,
N.A.Semenov, J.Beckmann, N.P.Gritsan, A.V.Zibarev
Chemical
Formula: C12 H24 O6,3(C2 N4 S2)
Name: tris([1,2,5]thiadiazolo[3,4-c][1,2,5]thiadiazolo) 18-crown-6
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RAMKOJ
Authors/Journal
Authors: Lan Fang, Yuntian Xiao, Chengtian Zhang, Zhenguo Gao, Songgu
Wu, Junbo Gong, S.Rohani
Chemical
Formula: C8 H6 Cl2 O3,C5 H5 N3 O1
Name: (2,4-dichlorophenoxy)acetic acid pyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.59
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAQGIE
Authors/Journal
Authors: Arshad Khan, R.Usman, Rongrong Li, M.Hajji, Haiming Tang, Di
Ma
Chemical
Formula: C19 H13 N1,C10 H2 N4
Name: 3-(naphthalen-2-yl)-2-phenylprop-2-enenitrile benzene-1,2,4,5-
tetracarbonitrile
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAQGUQ
Authors/Journal
Authors: Arshad Khan, R.Usman, Rongrong Li, M.Hajji, Haiming Tang, Di
Ma
Chemical
Formula: 2(C24 H17 N1),C10 H2 N4
Name: bis(3-(anthracen-9-yl)-2-(4-methylphenyl)prop-2-enenitrile)
benzene-1,2,4,5-tetracarbonitrile
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SARQOV
Authors/Journal
Authors: F.J.Acebedo-Martinez, C.Alarcon-Payer, Lucia Rodriguez-
Domingo, Alicia Dominguez-Martin, J.Gomez-Morales, D.Choquesillo-Lazarte
Chemical
Formula: C12 H11 Cl1 N2 O5 S1,C9 H11 N1 O2
Name: 4-chloro-2-{[(furan-2-yl)methyl]amino}-5-sulfamoylbenzoic acid
2-ethoxybenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.84
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SARQUB
Authors/Journal
Authors: F.J.Acebedo-Martinez, C.Alarcon-Payer, Lucia Rodriguez-
Domingo, Alicia Dominguez-Martin, J.Gomez-Morales, D.Choquesillo-Lazarte
Chemical
Formula: C15 H13 N3 O4 S1,C12 H11 Cl1 N2 O5 S1
4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-1,2-dihydro-1,2-benzothiazine-3-
carboxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.79
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SASBOH
Authors/Journal
Authors: Shaobin Miao, Yunfan Zhang, Linjie Shan, Mingyuan Xu, Jian-Ge
Wang, Yu Zhang, Weizhou Wang
Chemical
Formula: 2(C8 H6 O4),C6 H4 N2 Se1
Name: bis(benzene-1,3-dicarboxylic acid) 2,1,3-benzoselenadiazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.48
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SASBUN
Authors/Journal
Authors: Shaobin Miao, Yunfan Zhang, Linjie Shan, Mingyuan Xu, Jian-Ge
Wang, Yu Zhang, Weizhou Wang
Chemical
Formula: C8 H6 O4,C6 H4 N2 Se1
Name: benzene-1,3-dicarboxylic acid 2,1,3-benzoselenadiazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.18
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAPFEZ
Authors/Journal
Authors: M.C.Scheepers, A.Lemmerer
Chemical
Formula: C11 H11 N3 O2 S1,C5 H6 N2
Name: 4-amino-N-(pyridin-2(1H)-ylidene)benzene-1-sulfonamide
pyridin-2-amine
Synonym: sulfapyridine pyridin-2-amine
Source:
Melting Point:
Colour: colorless
Extra Information: sulfapyridine has anti-bacterial activity
Experimental
R-Factor (%): 4.71
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TATNIP
Authors/Journal
Authors: Xu Ji, Di Wu, Chang Li, Jiulong Li, Qin Sun, Dewu Chang,
Qiuxiang Yin, Lina Zhou, Chuang Xie, Junbo Gong, Wei Chen
Chemical
Name: [(1S,4R)-4-[2-amino-6-(cyclopropylamino)purin-9-yl]-1-
cyclopent-2-enyl]methanol hemikis(1,8-octanedioic acid)
Synonym: Abacavir hemikis(suberic acid)
Source:
Melting Point:
Colour: colorless
Extra Information: absolute configuration; abacavir is a reverse transcriptase
inhibitor used in the treatment of HIV infection
Experimental
R-Factor (%): 3.46
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: absolute configuration; 293 K
CCDC Notes:
REFCODE: TATNOV
Authors/Journal
Chemical
Formula: C14 H18 N6 O1,0.5(C9 H16 O4)
cyclopent-2-enyl]methanol hemikis(1,9-ninandioic acid)
Synonym: Abacavir hemikis(azelaic acid)
Source:
Melting Point:
Colour: colorless
Extra Information: absolute configuration; abacavir is a reverse transcriptase
inhibitor used in the treatment of HIV infection
Experimental
R-Factor (%): 3.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TATNUB
Authors/Journal
Chemical
cyclopent-2-enyl]methanol 1,5-pentadioic acid
Synonym: Abacavir glutaric acid
Source:
Melting Point:
Colour: colorless
Extra Information: abacavir is a reverse transcriptase inhibitor used in the
treatment of HIV infection
Experimental
R-Factor (%): 5.14
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAXKOZ
Authors/Journal
Authors: R.Usman, Arshad Khan, Haiming Tang, Di Ma, A.M.Alsuhaibani,
M.S.Refat, Adnan, N.Ara, Hua-Jun Shawn Fan
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile benzene-1,2-diamine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAXKUF
Authors/Journal
Authors: R.Usman, Arshad Khan, Haiming Tang, Di Ma, A.M.Alsuhaibani,
M.S.Refat, Adnan, N.Ara, Hua-Jun Shawn Fan
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile [1,1'-biphenyl]-4,4'-diamine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.76
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XATQES
Authors/Journal
Authors: M.Vajaravel, S.Karuppannan
Journal: Cryst.Res.Technol. , 56, 2000223, 2021
Chemical
Name: methyl 4-hydroxybenzoate urea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.94
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUCBIK01
Authors/Journal
Authors: S.Aitipamula, Loke Pei Shan, K.M.Gupta
Chemical
Name: 3-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
pyridine-3-carboxamide
Synonym: phloretin nicotinamide
Source:
Melting Point:
Colour: colorless
Extra Information: phloretin has anti-inflammatory and anti-oxidative activity
Experimental
R-Factor (%): 4.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZAPSUI
Authors/Journal
Authors: M.Donoshita, Y.Yoshida, M.Hayashi, R.Ikeda, S.Tanaka,
Y.Yamamura, K.Saito, S.Kawaguchi, K.Sugimoto, H.Kitagawa
Journal: Angew.Chem.,Int.Ed. , 60, 22839, 2021
Chemical
Formula: C6 H2 F2 O4,2(C4 H7 N1 O1)
Name: 2,5-difluoro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
bis(pyrrolidin-2-one)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.98
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZAPTET
Authors/Journal
Chemical
Formula: C6 H2 Br2 O4,2(C4 H7 N1 O1)
Name: 2,5-dibromo-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 2.65
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZAPTOD
Authors/Journal
Chemical
Formula: C6 H2 I2 O4,2(C4 H7 N1 O1)
Name: 2,5-dihydroxy-3,6-diiodocyclohexa-2,5-diene-1,4-dione
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 2.01
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ABADUD
Authors/Journal
Authors: A.Basak, S.S.Bag, P.A.Mazumdar, V.Bertolasi, A.K.Das
Journal: J.Chem.Res. , , 318, 2004
Chemical
Formula: C10 H11 N1 O3 S1,2(C11 H13 N1 O3 S1)
Name: trans-3-Methyl-4-(phenylsulfonyl)azetidin-2-one bis(3,3-
dimethyl-4-(phenylsulfonyl)azetidin-2-one)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.03
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: at 293 K
CCDC Notes:
REFCODE: ABELAU06
Authors/Journal
Authors: K.M.Hutchins, D.K.Unruh, R.H.Groeneman
Journal: New J.Chem. , 42, 16460, 2018
Chemical
Formula: C24 H20 N4,2(C6 H6 O2)
Name: 4,4',4'',4'''-(cyclobutane-1,2,3,4-tetrayl)tetrapyridine
bis(resorcinol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.25
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ABUHIO
Authors/Journal
Authors: Md.B.Zaman, M.Tomura, Y.Yamashita
Journal: Org.Lett. , 2, 273, 2000
Chemical
Formula: C6 H2 Cl2 O4,C12 H8 N2
Name: 1,2-bis(Pyrid-2-yl)acetylene 2,5-dichloro-3,6-dihydroxy-1,4-
benzoquinone
Synonym: 1,2-bis(Pyrid-2-yl)acetylene chloranilic acid
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 6.73
Temperature: 295
Density (CCDC): 1.6
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ABULEQ
Authors/Journal
Authors: Benyong Lou, Shuling Hu
Journal: J.Chem.Cryst. , 41, 1663, 2011
Chemical
Name: 3-Hydroxy-2-naphthoic acid nicotinamide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.15
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ABUNAM01
Authors/Journal
Authors: O.Ermer, J.Neudorfl
Journal: Helv.Chim.Acta , 84, 1268, 2001
Chemical
Formula: 2(C9 H6 O6),C26 H16
Name: bis(Benzene-1,3,5-tricarboxylic acid) (+-)-phenanthro(3,4-
c)phenanthrene
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ABUNIU
Authors/Journal
Chemical
Formula: C26 H16,C6 H3 N3 O6
Name: (+-)-Phenanthro(3,4-c)phenanthrene 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: dark yellow
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ABUNIU01
Authors/Journal
Chemical
Name: (+-)-Phenanthro(3,4-c)phenanthrene 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: dark yellow
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ABUNOA
Authors/Journal
Chemical
Name: (+-)-Phenanthro(3,4-c)phenanthrene 3,5-dinitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: deep yellow
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ABUNUG
Authors/Journal
Chemical
Formula: C26 H16,C12 H4 N4
Name: (+-)-Phenanthro(3,4-c)phenanthrene 2,2'-(cyclohexa-2,5-diene-
1,4-diylidene)bis(propanedinitrile)
Synonym:
Source:
Melting Point:
Colour: bluish-black
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ABUPES
Authors/Journal
Chemical
Name: Phenanthrene 5-nitrobenzene-1,3-dicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ACEREH
Authors/Journal
Authors: N.J.Babu, P.Sanphui, A.Nangia
Journal: Chem.Asian J. , 7, 2274, 2012
Chemical
Formula: C6 H6 N6 O2,0.5(C7 H7 N1 O2)
Name: 2-Aminobenzoic acid hemikis(3-methyl-4-oxo-3,4-
dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide)
Synonym: hemikis(Temozolomide) 2-aminobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information: Temozolomide is a chemotherapy drug
Experimental
R-Factor (%): 5.55
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ACESAE
Authors/Journal
Chemical
Formula: C6 H6 N6 O2,0.5(C4 H6 O6)
Name: 3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-
carboxamide 2,3-dihydroxysuccinate
Synonym: Temozolomide DL-Malic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 9.07
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ACESEI
Authors/Journal
Chemical
carboxamide ethanedioate
Synonym: Temzolomide oxalic acid
Source:
Melting Point:
Colour: pink
Experimental
R-Factor (%): 5.32
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ACESUZ
Authors/Journal
Authors: Yanping Wu, John Mack, Xuqiong Xiao, Zhifang Li, Zhen Shen,
Hua Lu
Chemical
Formula: C18 H15 O1 P1,C15 H10 B1 F2 N3
Name: difluoro[9-(1H-pyrrol-2-yl)-4H-pyrrolo[3,2-b]quinolinato]boron
triphenylphosphine oxide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ACETAF
Authors/Journal
Chemical
Name: 2-Hydroxybenzoic acid 3-methyl-4-oxo-3,4-dihydroimidazo[5,1-d]
[1,2,3,5]tetrazine-8-carboxamide
Synonym: Temzolomide salicylic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.92
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ACETEJ
Authors/Journal
Chemical
carboxamide 2,3-dihydroxysuccinate
Synonym: Temozolomide 2,3-dihydroxysuccinate
Source:
Melting Point:
Colour: yellow
Experimental
R-Factor (%): 6.18
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ACIREK
Authors/Journal
Authors: Shizheng Zhu, Chunhui Xing, Wei Xu, Zhanting Li
Journal: Tetrahedron Lett. , 45, 777, 2004
Chemical
Formula: C6 H16 N2,2(C7 F7 I1)
Name: N,N,N',N'-Tetramethylethylenediamine
bis(difluoroiodo(pentafluorophenyl)methane)
Synonym:
Source:
Melting Point: 39-41deg.C
Colour: light red
Extra Information:
Experimental
R-Factor (%): 5.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: Space group incorrectly published as P1
REFCODE: ACNTCB
Authors/Journal
Authors: I.J.Tickle, C.K.Prout
Journal: J.Chem.Soc.,Perkin Trans.2 , , 724, 1973
Chemical
Formula: C12 H10,C6 Cl4 O2
Name: Acenaphthene-tetrachloro-p-benzoquinone complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ACNTCQ
Authors/Journal
Chemical
Name: Acenaphthene 7,7,8,8-tetracyanoquinodimethane complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ACOPOA
Authors/Journal
Authors: K.K.Sarmah, T.Rajbongshi, S.Bhowmick, R.Thakuria
Journal: Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat. , 73,
1007, 2017
Chemical
Name: 3,5-dihydroxybenzoic acid pyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ACOPUG
Authors/Journal
1007, 2017
Chemical
Name: 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid pyrazine-2-
carboxamide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.55
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ACUDAG
Authors/Journal
Authors: L.F.Diniz, M.S.Souza, P.S.Carvalho Junior, C.C.P.da Silva,
R.F.D'Vries, J.Ellena
Chemical
Name: 4-cyanobenzoic acid pyridine-4-carbohydrazide
Synonym: isoniazid p-cyanobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information: Isoniazid is an antibiotic
Experimental
R-Factor (%): 4.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ACUDEK
Authors/Journal
Chemical
Name: bis(4-aminobenzoic acid) pyridine-4-carbohydrazide
Synonym: isoniazid bis(p-aminobenzoic acid)
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.85
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ACUDEK01
Authors/Journal
Chemical
Name: bis(4-aminobenzoic acid) pyridine-4-carbohydrazide
Synonym: isoniazid bis(p-aminobenzoic acid)
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.28
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ACUDIO
Authors/Journal
Chemical
Name: 4-nitrobenzoic acid pyridine-4-carbohydrazide
Synonym: isoniazid p-nitrobenzoic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.09
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ADECIW
Authors/Journal
Authors: B.K.Saha, R.Banerjee, A.Nangia, G.R.Desiraju
Journal: Acta Crystallogr.,Sect.E:Struct.Rep.Online , 62, o2283, 2006
Chemical
Name: Saccharin 4-methylpyridine N-oxide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.67
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ADIHOK
Authors/Journal
Authors: R.K.Castellano, V.Gramlich, F.Diederich
Journal: Chem.-Eur.J. , 8, 118, 2002
Chemical
Formula: 2(C14 H21 N1 O4 S1),C7 H9 N5
Name: bis(Methylsulfanylmethyl 1,5,7-trimethyl-2,4-dioxo-3-
azabicyclo(3.3.1)nonane-7-carboxylate) 1-ethyladenine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.99
Temperature: 293
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ADIKOP
Authors/Journal
Authors: Wen-Xue Niu, Er-Qun Yang, Zi-Fa Shi, Xiao-Ping Cao, D.Kuck
Journal: J.Org.Chem. , 77, 1422, 2012
Chemical
Formula: C46 H36,C4 H8 O2
Name: Ethyl acetate 4b,8b,16b,16d-tetramethyl-10,15-diphenyl-
4b,8b,16b,16d-tetrahydrobenzo[5,6]indeno[1',2',3':3,4]pentaleno[1,2-b]anthracene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.29
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ADOSBU
Authors/Journal
Authors: K.Aiba, T.Hata, S.Sato, C.Tamura
Journal: Acta Crystallogr.,Sect.B:Struct.Crystallogr.Cryst.Chem. , 34,
1259, 1978
Chemical
Formula: C10 H13 N5 O4,C4 H3 Br1 N2 O2
Name: Adenosine-5-bromouracil
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: THE Z COORDINATE OF C2' IS 0.5415 NOT 0.4515
REFCODE: ADULEQ
Authors/Journal
Authors: D.Britton
Chemical
Formula: C8 Cl4 N2,C12 H18
Name: 2,3,5,6-Tetrachloro-1,4-dicyanobenzene hexamethylbenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ADULEQ03
Authors/Journal
Authors: D.Britton
Journal: Acta Crystallogr.,Sect.B:Struct.Sci. , 58, 553, 2002
Chemical
Formula: C8 Cl4 N2,C12 H18
Name: p-tetrachlorodicyanobenzene hexamethylbenzene
Synonym:
Source:
Melting Point: sublimes above 400 K
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AFAKIC
Authors/Journal
Authors: V.Kinzhybalo, J.Janczak
Journal: Inorg.Chim.Acta , 360, 3314, 2007
Chemical
Formula: C32 H18 Mg1 N8 O1,0.5(C3 H9 N1 O1)
Name: Aqua-(phthalocyaninato)-magnesium(ii) hemikis(2-
methoxyethylamine)
Synonym:
Source:
Melting Point:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 6.43
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AFAKOI
Authors/Journal
Chemical
Formula: C32 H18 Mg1 N8 O1,1.5(C3 H9 N1 O1)
Name: Aqua-(phthalocyaninato)-magnesium(ii) sesquikis(2-
methoxyethylamine)
Synonym:
Source:
Melting Point:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 6.49
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AFAKUO
Authors/Journal
Chemical
Formula: C32 H18 Mg1 N8 O1,C3 H9 N1 O1
Name: Aqua-(phthalocyaninato)-magnesium(ii) 2-methoxyethylamine
Synonym:
Source:
Melting Point:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 6.75
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AFICID
Authors/Journal
Authors: L.Yu.Isotova, D.M.Ashurov, S.A.Talipov, B.G.Ibragimov, E.Weber
Journal: Zh.Strukt.Khim.(Russ.)(J.Struct.Chem.) , 54, 339, 2013
Chemical
Formula: C22 H14 O4,2(C6 H7 N1)
Name: 1,1'-Binaphthalene-2,2'-dicarboxylic acid bis(2-
methylpyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AFIGED
Authors/Journal
Authors: P.Nagapandiselvi, S.Muralidharan, T.Srinivasan,
R.Goplalakrishnan, D.Velmurugan
Chemical
Formula: C4 H10 N2,2(C6 H5 N1 O3)
Name: bis(4-Nitrophenol) piperazine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AFIJOQ
Authors/Journal
Authors: A.Mirjafari, L.Pham, P.J.Smith, R.E.Sykora, J.H.Davis Jr
Chemical
Formula: C12 H8 N2,2(H3 B1 O3)
Name: 1,10-phenanthroline bis(boric acid)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.62
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AFIJOQ01
Authors/Journal
Authors: Yan-Jing Wang, Ai-Quan Jia, Xing-Shun Chen, Hua-Tian Shi,
Qian-Feng Zhang
Journal: Z.Naturforsch.,B:Chem.Sci. , 70, 467, 2015
Chemical
Name: 1,10-phenanthroline bis(boric acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.97
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AFIYOF
Authors/Journal
Authors: M.Yang, C.Jin, X.Zhou, L.Jin
Chemical
Name: 2-Hydroxy-N'-methyl-5-nitrobenzohydrazide 2-((2-methyldiazan-
2-ium-1-yl)carbonyl)-4-nitrophenolate
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AGOPEU
Authors/Journal
Authors: Xiaoyu Fang, Xiaogang Yang, Dan Li, Bo Lu, Dongpeng Yan
Chemical
Formula: C36 H24 N2,2(C10 H2 N4)
Name: 9,9'-([1,1'-biphenyl]-4,4'-diyl)bis(9H-carbazole) bis(benzene-
1,2,4,5-tetracarbonitrile)
Synonym:
Source:
Melting Point:
Colour: dull dark red
Extra Information:
Experimental
R-Factor (%): 10.18
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes: We calculate 26 percent void space in the structure
REFCODE: AGOYIE
Authors/Journal
Authors: A.E.Goeta, S.E.Lawrence, M.M.Meehan, A.O'Dowd, T.R.Spalding
Journal: Polyhedron , 21, 1689, 2002
Chemical
Formula: C18 H16 O1 Si1,C11 H9 N1
Name: Triphenylsilanol 4-phenylpyridine
Synonym:
Source:
Melting Point: 53-55 deg.C
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AGOYOK
Authors/Journal
Authors: A.E.Goeta, S.E.Lawrence, M.M.Meehan, A.O'Dowd, T.R.Spalding
Chemical
Name: Triphenylsilanol 4,4'-bipyridyl
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AGULIA
Authors/Journal
Authors: Jay Quentin, D.C.Swenson, L.R.MacGillivray
Journal: Molecules , 25, 907, 2020
Chemical
Formula: C24 H20 N4,C6 F4 I2
Name: 1,2,4,5-tetrafluoro-3,6-bis(iodo)benzene 2,2',2'',2'''-
(cyclobutane-1,2,3,4-tetrayl)tetrapyridine
Synonym:
Source:
Melting Point: 447.15-448.15 K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.52
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AHEVOZ
Authors/Journal
Authors: D.Cincic, T.Friscic, W.Jones
Journal: J.Am.Chem.Soc. , 130, 7524, 2008
Chemical
Formula: C6 F4 I2,2(C5 H11 N1)
Name: 2,3,5,6-Tetrafluoro-1,4-diiodobenzene bis(piperidine)
Synonym: PDB Chemical Component code: PIP
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AHUXIN
Authors/Journal
Authors: Chengbo Tian, Kebin Lin, Jianxun Lu, Wenjing Feng, Peiquan
Song, Liqiang Xie, Zhanhua Wei
Journal: Small Methods , , 1900476, 2019
Chemical
Formula: C74 H13 N1,1.88(C1 S2)
Name: 1,2-(1,3-diphenyl-2-azapropane-1,3-diyl)-C60fullerene carbon
disulfide
Synonym:
Source:
Melting Point:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 8.94
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AJACOF
Authors/Journal
Authors: V.Nemec, N.Skvorc, D.Cincic
Chemical
Formula: C14 H8 O2,C1 H4 N2 S1
Name: thiourea phenanthrene-9,10-dione
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AJAKOL
Authors/Journal
Authors: C.B.Aakeroy, A.M.Beatty, B.A.Helfrich, M.Nieuwenhuyzen
Chemical
Name: 2-Amino-5-nitropyrimidine 2-amino-3-nitropyridine
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.55
Temperature: 301
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AJODUB
Authors/Journal
Authors: V.Nemec, T.Pitesa, T.Friscic, D.Cincic
Chemical
Formula: C4 H10 N2 O1,C6 F4 I2
Name: morpholin-4-amine 1,2,4,5-tetrafluoro-3,6-bis(iodo)benzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.53
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AJOGAI
Authors/Journal
Authors: M.Khan, V.Enkelmann, G.Brunklaus
Chemical
Formula: C20 H15 F1 N2,C7 H6 O3
Name: 2,4-Dihydroxybenzaldehyde 4,4'-((2,5-difluoro-1,4-
phenylene)di-2,1-ethenediyl)dipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: R-factor and study temperature have not been provided. No
reply to our request for the relevant data
REFCODE: AJOGUE01
Authors/Journal
Chemical
Formula: C4 H10 N2 O1,2(C6 F3 I3)
Name: morpholin-4-amine bis(1,3,5-trifluoro-2,4,6-triiodobenzene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.67
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AJOHAL
Authors/Journal
Chemical
Name: 1-{[(morpholin-4-yl)imino]methyl}naphthalen-2-ol 1,3,5-
trifluoro-2,4,6-tris(iodo)benzene
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 7.61
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AJOHEP
Authors/Journal
Chemical
Formula: C15 H16 N2 O2,C6 Br2 F4
Name: 1-{[(morpholin-4-yl)imino]methyl}naphthalen-2-ol 1,4-dibromo-
2,3,5,6-tetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 5.87
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AJOHOZ
Authors/Journal
Chemical
Name: 1-{[(morpholin-4-yl)imino]methyl}naphthalen-2-ol 1,2,3,4,5-
pentafluoro-6-iodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.74
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AJOHUF
Authors/Journal
Chemical
Formula: C15 H16 N2 O2,0.5(C6 F4 I2)
Name: 1-{[(morpholin-4-yl)imino]methyl}naphthalen-2-ol
hemikis(1,2,4,5-tetrafluoro-3,6-bis(iodo)benzene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.45
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AKASAG
Authors/Journal
Authors: D.Guerin, D.Lorcy, R.Carlier, S.Los, L.Piekara-Sady
Journal: J.Solid State Chem. , 168, 590, 2002
Chemical
Formula: C12 H18 N4 S2,C12 H4 N4
Name: N,N'-bis(3,4,5-trimethyl-3H-thiazol-2-ylidene)hydrazine
tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: deep purple
Extra Information:
Experimental
R-Factor (%): 6.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AKASEK
Authors/Journal
Authors: D.Guerin, D.Lorcy, R.Carlier, S.Los, L.Piekara-Sady
Chemical
Name: butane-2,3-dione bis((3,4,5-trimethyl-1,3-thiazol-2(3H)-
ylidene)hydrazone) tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: deep green
Extra Information:
Experimental
R-Factor (%): 6.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AKIBOM
Authors/Journal
Authors: K.S.Eccles, S.P.Stokes, C.A.Daly, N.M.Barry, S.P.McSweeney,
D.J.O'Neill, D.M.Kelly, W.B.Jennings, O.M.N.Dhubhghaill, H.A.Moynihan, A.R.Maguire,
S.E.Lawrence
Journal: J.Appl.Crystallogr. , 44, 213, 2011
Chemical
Formula: C18 H15 O1 P1,C7 H7 N1 S1
Name: Benzenecarbothioamide triphenylphosphine oxide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AKIBOM01
Authors/Journal
Authors: K.S.Eccles, S.P.Stokes, C.A.Daly, N.M.Barry, S.P.McSweeney,
D.J.O'Neill, D.M.Kelly, W.B.Jennings, O.M.N.Dhubhghaill, H.A.Moynihan, A.R.Maguire,
S.E.Lawrence
Journal: J.Appl.Crystallogr. , 44, 213, 2011
Chemical
Formula: C18 H15 O1 P1,C7 H7 N1 S1
Name: Benzenecarbothioamide triphenylphosphine oxide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 300
Intensity Meas: 3
Disorder:
Extra Information: Using Bruker SMART X2S; at 300 K
CCDC Notes:
REFCODE: AKOCIO
Authors/Journal
Authors: P.Sivakumar, S.Sudhahar, S.Israel, G.Chakkaravarthi
Journal: IUCrData , 1, x160604, 2016
Chemical
Name: 4-aminobenzoic acid quinoline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.43
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ALETOC
Authors/Journal
Authors: Wen-Huan Huang, Tong Liu, Yan-Xin Wang, Shu-Ya Liu, Jia-Zhi
Li, Hai-Ju Yin, Ya-Nan Zhang
Journal: Jiegou Huaxue(Chin.)(Chin.J.Struct.Chem.) , 35, 621, 2016
Chemical
Formula: C16 H12 O4,C12 H12 N2
Name: 4,4'-ethene-1,2-diyldibenzoic acid 4,4'-ethane-1,2-
diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ALPRAL10
Authors/Journal
Authors: C.C.Chiang, I.L.Karle
Journal: Int.J.Pept.Protein Res. , 20, 133, 1982
Chemical
Name: Cyclo(L-alanyl-L-prolyl-L-phenylalanyl-L-prolyl) cyclo(L-
alanyl-L-prolyl-D-phenylalanyl-L-prolyl)
Synonym: PEPSEQ C=4 ALA-PRO-PHE-PRO-
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: AMALUX
Authors/Journal
Authors: V.Kinzhybalo, R.Kubiak, Jan Janczak
Chemical
Formula: C32 H16 Mg1 N8,2(C7 H9 N1)
Name: (29H,31H-phthalocyaninato)-magnesium bis(3,5-dimethylpyridine)
Synonym:
Source:
Melting Point:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 5.89
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AMAMAE
Authors/Journal
Chemical
Formula: C32 H18 Mg1 N8 O1,C7 H9 N1
Name: aqua-(29H,31H-phthalocyaninato)-magnesium 3,5-dimethylpyridine
Synonym:
Source:
Melting Point:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 4.86
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AMAMEI
Authors/Journal
Chemical
Formula: C32 H18 Mg1 N8 O1,2(C7 H9 N1)
Name: aqua-(29H,31H-phthalocyaninato)-magnesium bis(3,5-
dimethylpyridine)
Synonym:
Source:
Melting Point:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AMBACO01
Authors/Journal
Authors: C.J.Brown
Journal: Proc.R.Soc.London,Ser.A , 302, 185, 1968
Chemical
Formula: 0.5(C7 H7 N1 O2),0.5(C7 H7 N1 O2)
Name: Anthranilic acid
Synonym: o-Aminobenzoic acid
Source:
Melting Point:
Colour:
Extra Information: triboluminescent
Experimental
R-Factor (%): 7.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: AMBSAM10
Authors/Journal
Authors: I.-N.Hsu, B.M.Craven
843, 1974
Chemical
Name: 5-Ethyl-5-isoamylbarbituric acid salicylamide
Synonym: Amobarbital salicylamide
Source:
Melting Point: 124deg.C
Colour:
Extra Information:
Experimental
R-Factor (%): 7.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: AMESET
Authors/Journal
Authors: Yudong Ma, Lixing Luo, Canglei Yang, Wei Wang, Xitong Liu,
Jing Zhang, Wei Huang
Journal: Macromol.Rapid Commun. , , 2000655, 2021
Chemical
Name: 2,7-dimethylbenzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-
tetrone perylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AMIDEF
Authors/Journal
Authors: Jian-Feng Wen, Wei Hong, Ke Yuan, T.C.W.Mak, H.N.C.Wong
Chemical
Name: (+-)-1,16-Dihydroxytetraphenylene 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.01
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AMIDIJ
Authors/Journal
Authors: Jian-Feng Wen, Wei Hong, Ke Yuan, T.C.W.Mak, H.N.C.Wong
Chemical
Name: (S)-1,16-Dihydroxytetraphenylene bis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: Published as monoclinic with space group Cc
REFCODE: AMILEN01
Authors/Journal
Authors: J.A.Starnes, R.H.Groeneman, E.W.Reinheimer
Chemical
Formula: C10 H8 N2,C1 H4 N2 O1
Name: urea 2,2'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AMILIR01
Authors/Journal
Chemical
Formula: C10 H8 N2,C1 H4 N2 S1
Name: thiourea 2,2'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AMIVUO
Authors/Journal
Authors: A.C.Kathalikkattil, S.Damodaran, K.K.Bisht, E.Suresh
Chemical
Formula: C14 H14 N4,C8 H12 O4
Name: Cyclohexane-1,4-dicarboxylic acid 1,1'-(1,4-
phenylenebis(methylene))bis-1H-imidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AMUBAM
Authors/Journal
Authors: M.A.Elbagerma, H.G.M.Edwards, T.Munshi, I.J.Scowen
Chemical
Name: bis(N-(4-Hydroxyphenyl)acetamide) 2-hydroxypropane-1,2,3-
tricarboxylic acid
Synonym: bis(Paracetamol) citric acid; bis(Acetaminophen) citric acid
Source:
Melting Point:
Colour: colorless
Extra Information: Paracetamol is an analgesic and antipyretic drug
Experimental
R-Factor (%): 4.74
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ANAWOE
Authors/Journal
Authors: I.Abdelmoty, B.M.Foxman
Chemical
Name: bis(but-2-ynoic acid) 4,4'-(ethane-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.37
Temperature: 294
Intensity Meas: 3
Disorder:
Extra Information: 2.0 kPa; 294 K
CCDC Notes:
REFCODE: ANAYOG
Authors/Journal
Authors: Dezhi Yang, Junzi Cao, Tianyu Heng, Cheng Xing, Shiying Yang,
Li Zhang, Yang Lu, Guanhua Du
Chemical
Formula: 2(C19 H24 N2 O2),C15 H10 O6
Name: bis(2-(cyclohexanecarbonyl)-1,2,3,6,7,11b-hexahydro-4H-
pyrazino[2,1-a]isoquinolin-4-one) 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-
benzopyran-4-one
Synonym: bis(praziquantel) kaempferol
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.69
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ANCTNB
Authors/Journal
Authors: D.S.Brown, S.C.Wallwork, A.Wilson
Journal: Acta Crystallogr. , 17, 168, 1964
Chemical
Name: Anthracene trinitrobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 18.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ANIKEQ
Authors/Journal
Authors: Peiyi Li, Yu Liu, Zhonghua Li, Junbo Gong, Songgu Wu
Journal: J.Cryst.Growth , 562, 126087, 2021
Chemical
Formula: C10 H10 N4 O2 S1,2(C5 H9 N1 O1)
Name: 4-amino-N-(pyrimidin-2-yl)benzenesulfonamide bis(1-
methylpyrrolidin-2-one)
Synonym: sulfadiazine bis(1-methylpyrrolidin-2-one)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ANLPCP
Authors/Journal
Authors: I.van Bellingen, G.Germain, P.Piret, M.van Meerssche
560, 1971
Chemical
Formula: C6 H7 N1,C6 H1 Cl5 O1
Name: Aniline-pentachlorophenol complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.5
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ANOLIZ
Authors/Journal
Authors: D.Braga, F.Grepioni, G.I.Lampronti
Chemical
Name: (R,R)-tartaric acid pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for racemate see [ANOLUL]
Experimental
R-Factor (%): 3.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ANOLOF
Authors/Journal
Chemical
Formula: C4 H6 O6,0.5(C4 H4 N2)
Name: (R*,R*)-tartaric acid hemikis(pyrazine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [ANOMAS]
Experimental
R-Factor (%): 5.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ANOLUL
Authors/Journal
Chemical
Name: (R*,R*)-tartaric acid pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [ANOLIZ]
Experimental
R-Factor (%): 4.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ANOMAS
Authors/Journal
Chemical
Name: (R*,S*)-tartaric acid hemikis(pyrazine)
Synonym: PDB Chemical Component code: SRT
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [ANOLOF]
Experimental
R-Factor (%): 4.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ANTCYB
Authors/Journal
Authors: H.Tsuchiya, F.Marumo, Y.Saito
1935, 1972
Chemical
Name: Anthracene 1,2,4,5-tetracyanobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ANTCYB12
Authors/Journal
Authors: J.J.Stezowski
Journal: AIP J.Chem.Phys. , 73, 538, 1980
Chemical
Name: Anthracene 1,2,4,5-tetracyanobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ANTPML
Authors/Journal
Authors: J.C.A.Boeyens, F.H.Herbstein
Journal: J.Phys.Chem. , 69, 2160, 1965
Chemical
Name: Anthracene-pyromellitic dianhydride complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 18.5
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ANUMEC
Authors/Journal
Authors: Deng-Ke Cao, T.V.Sreevidya, M.Botoshansky, G.Golden,
J.B.Benedict, M.Kaftory
Chemical
Name: 1,1,6,6-Tetraphenyl-2,4-hexadiyne-1,6-diol bis(isoquinolin-
3(2H)-one)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.16
Temperature: 286
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ANUNED
Authors/Journal
Authors: Deng-Ke Cao, T.V.Sreevidya, M.Botoshansky, G.Golden,
J.B.Benedict, M.Kaftory
Chemical
Name: 1,3-Benzenediol isoquinolin-3(2H)-one
Synonym:
Source:
Melting Point:
Colour: red yellow
Extra Information:
Experimental
R-Factor (%): 5.11
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ANUPIJ
Authors/Journal
Chemical
Formula: C4 H8 S2,2(C6 F4 I2)
Name: bis(1,2,4,5-Tetrafluoro-3,6-di-iodobenzene) 1,4-dithiane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ANZHDX
Authors/Journal
Authors: R.E.Cobbledick, R.W.H.Small
2585, 1973
Chemical
Name: 1,7-Diacetoxy-2,4,6-trinitro-2,4,6-triazaheptane-1,4-dioxane
complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: APARUH
Authors/Journal
Authors: Huizhen Li
Chemical
Formula: C12 H24 O6,C1 H6 B1 N1 O2
Name: ammine(formato)dihydridoboron 18-crown-6
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.35
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: APEGEI
Authors/Journal
Authors: B.R.Bhogala, B.Captain, A.Parthasarathy, V.Ramamurthy
Chemical
Formula: C13 H9 Cl2 N1,C1 H4 N2 S1
Name: 1-(4-Pyridyl)-2-(2,4-dichlorophenyl)ethylene thiourea
Synonym: 4-(2-(2,4-Dichlorophenyl)vinyl)pyridine thiourea
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.06
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: APEGEJ
Authors/Journal
Authors: A.S.Trita, T.Roisnel, Florence Mongin, F.Chevallier
Chemical
Formula: C6 H4 Cl2 O2,2(C5 H5 N1)
Name: 4,6-dichlorobenzene-1,3-diol bis(pyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.48
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: APEGIN
Authors/Journal
Authors: A.S.Trita, T.Roisnel, Florence Mongin, F.Chevallier
Chemical
Name: 4,6-Dichlorobenzene-1,3-diol 2,2'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: APEGIN01
Authors/Journal
Chemical
Name: 4,6-dichlorobenzene-1,3-diol 2,2'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: APEHEJ
Authors/Journal
Authors: B.R.Bhogala, B.Captain, A.Parthasarathy, V.Ramamurthy
Chemical
Formula: C12 H10 N2,2(C1 H4 N2 S1)
Name: 1,2-bis(2-Pyridyl)ethylene bis(thiourea)
Synonym: 2,2'-Ethene-1,2-diyldipyridine bis(thiourea)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.36
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: APIWAY
Authors/Journal
Authors: A.R.Zaripova, R.R.Spiridonova, S.S.Galibeev, O.I.Gnezdilov,
I.A.Litvinov, A.T.Gubaidullin, Ya.D.Samuilov
Journal: Zh.Obshch.Khim.(Russ.)(Russ.J.Gen.Chem.) , 80, 848, 2010
Chemical
Formula: C21 H12 Cl3 N3 O3,2(C5 H9 N1 O1)
Name: 1,3,5-tris(3-Chlorophenyl)-1,3,5-triazinane-2,4,6-trione
bis(1-methylpyrrolidin-2-one)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.45
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: APUVUF
Authors/Journal
Authors: Di Wu, Jiulong Li, Yuntian Xiao, Xu Ji, Chang Li, Bei Zhang,
Baohong Hou, Lina Zhou, Chuang Xie, Junbo Gong, Wei Chen
Chemical
Name: (E)-6-methyl-4-((pyridin-3-ylmethylene)amino)-4,5-dihydro-
1,2,4-triazin-3(2H)-one 2,4-dihydroxybenzoic acid
Synonym: pymetrozine 2,4-dihydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information: pymetrozine is a pesticide
Experimental
R-Factor (%): 6.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: APUWOA
Authors/Journal
Authors: Di Wu, Jiulong Li, Yuntian Xiao, Xu Ji, Chang Li, Bei Zhang,
Baohong Hou, Lina Zhou, Chuang Xie, Junbo Gong, Wei Chen
Chemical
Name: (E)-6-methyl-4-((pyridin-3-ylmethylene)amino)-4,5-dihydro-
1,2,4-triazin-3(2H)-one 4-hydroxybenzoic acid
Synonym: pymetrozine 4-hydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information: pymetrozine is a pesticide
Experimental
R-Factor (%): 4.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: APYSAL
Authors/Journal
Authors: T.P.Singh, M.Vijayan
557, 1974
Chemical
Name: Antipyrine salicylic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information: derivative of analgesic and antipyretic agent
Experimental
R-Factor (%): 7.9
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes: THE Y-COORDINATE OF C7 SHOULD BE -0.0383 NOT 0.0383
REFCODE: AQEJEO
Authors/Journal
Authors: Hirihattaya Phetmung, Kanlayanee Musikapong, T.Srichana
Journal: J.Thermal Analysis and Calorimetry , 138, 1207, 2019
Chemical
Name: 2-hydroxybenzoic acid 2-hydroxybenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.96
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AQIKOB
Authors/Journal
Authors: N.A.Al-Awadi, M.R.Ibrahim, A.M.Al-Etaibi, M.H.Elnagdi
Journal: ARKIVOC , 2012, 310-2, 2011
Chemical
Name: 1-(6-Benzoyl-2-phenyl-2,3-dihydropyridazin-4-yl)ethanone 1-(4-
benzoyl-2-phenyl-2,3-dihydropyridazin-6-yl)ethanone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AQONIG
Authors/Journal
Authors: Jue Chen
Chemical
Name: 4,4'-methylenediphenol 4,4'-(ethene-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.86
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AQUBAR
Authors/Journal
Authors: D.E.Stephens, J.Lakey-Beitia, J.E.Burch, H.D.Arman,
O.V.Larionov
Journal: Chem.Commun. , 52, 9945, 2016
Chemical
Formula: C10 H9 N1 O1,C7 H5 Cl1 O2
Name: 3-chlorobenzoic acid 3-methylquinoline 1-oxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.62
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AQUMEH
Authors/Journal
Authors: C.L.Santana, E.W.Reinheimer, R.H.Groeneman
Chemical
Formula: C9 H9 N1 O2,2(C1 H4 N2 S1)
Name: methyl 3-(pyridin-2-yl)prop-2-enoate bis(thiourea)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AQUMIL
Authors/Journal
Chemical
Name: methyl 3-(pyridin-2-yl)prop-2-enoate urea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.78
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: twin; 293 K
CCDC Notes:
REFCODE: AQUMIL01
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ARAMAK
Authors/Journal
Chemical
Formula: C9 H9 N1 O2,C1 H4 N2 S1
Name: methyl 3-(pyridin-3-yl)prop-2-enoate thiourea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ARAMEO
Authors/Journal
Chemical
Name: methyl 3-(pyridin-3-yl)prop-2-enoate hemikis(urea)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ARIFOX
Authors/Journal
Authors: M.L.Cheney, D.R.Weyna, Ning Shan, M.Hanna, L.Wojtas,
M.J.Zaworotko
Journal: J.Pharm.Sci. , 100, 2172, 2011
Chemical
Formula: C9 H8 O4,C14 H13 N3 O4 S2
Name: 2-Acetoxybenzoic acid 4-hydroxy-2-methyl-N-(5-methyl-1,3-
thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
Synonym: Aspirin meloxicam
Source:
Melting Point:
Colour: colorless
Extra Information: Meloxicam is a nonsteroidal anti-inflammatory drug (NSAID).
Aspirin is known as an analgesic, antipyretic and antiinflammatory agent. The
cocrystal exhibits mild-to-medium acute pain relief with improved pharmacokinetic
properties over Meloxicam
Experimental
R-Factor (%): 4.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ARIWAA
Authors/Journal
Authors: P.Garcia-Orduna, S.Dahaoui, C.Lecomte
Chemical
Formula: 2(C6 H4 S4),C6 Br4 O2
Name: bis(1,1',3,3'-tetrathiafulvalene) 2,3,5,6-tetrabromo-1,4-
benzoquinone
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ARUREM
Authors/Journal
Authors: L.Catalano, Pierangelo Metrangolo, T.Pilati, G.Resnati,
G.Terraneo, M.Ursini
Journal: J.Fluorine Chem. , 196, 32, 2017
Chemical
Formula: C10 F20 I2,C10 H8 N2
Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-1,10-
diiododecane 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.64
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ASAVIZ
Authors/Journal
Authors: T.Hasegawa, T.Mochida, R.Kondo, S.Kagoshima, Y.Iwasa,
T.Akutagawa, T.Nakamura, G.Saito
Journal: Phys.Rev.B,Condens.Mat. , 62, 10059, 2000
Chemical
Formula: C10 H8 S8,C14 H8 N4
Name: (bis(Ethylenedithio)tetrathiafulvalene) 2,5-
dimethyltetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 296
Intensity Meas: 3
Disorder:
Extra Information: at 296.2 K
CCDC Notes:
REFCODE: ASAVUL
Authors/Journal
Authors: T.Hasegawa, T.Mochida, R.Kondo, S.Kagoshima, Y.Iwasa,
T.Akutagawa, T.Nakamura, G.Saito
Chemical
Formula: C10 H8 O4 S4,C12 H2 Cl2 N4
Name: (bis(Ethylenedioxy)tetrathiafulvalene) 2,5-
dichlorotetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.59
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ASEJEQ
Authors/Journal
Authors: Yi-Ding Geng, Yi-Xia Gong
Journal: Z.Kristallogr.-New Cryst.Struct. , 236, 43, 2021
Chemical
Formula: 0.5(C17 H14 Br1 N1 O2),0.5(C17 H14 Cl1 N1 O2)
Name: hemikis[(S)-(6-bromo-2-methoxy-2,6- dihydroquinolin-3-yl)
(phenyl)methanol] hemikis[(S)-(6-chloro-2-methoxy-2,6- dihydroquinolin-3-yl)
(phenyl)methanol]
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.34
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes: Mixed crystal of bromo/chloro substituted molecules
REFCODE: ASIHUF
Authors/Journal
Authors: L.Kaboub, J.-P.Legros, B.Donnadieu, A.-K.Gouasmia, L.Boudiba,
J.-M.Fabre
Journal: J.Mater.Chem. , 14, 351, 2004
Chemical
Formula: C17 H14 O2 S4 Se2,0.5(C12 H4 N4)
Name: 4-(4-Acetoxyphenyl)-5-methyl-4',5'-
ethylenediselenotetrathiafulvalene hemikis(tetracyano-p-quinodimethane)
Synonym:
Source:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ASIZEI
Authors/Journal
Authors: J.Saczewski, M.Gdaniec, P.J.Bednarski, A.Makowska
Journal: Tetrahedron , 67, 3612, 2011
Chemical
Name: N-(2-(Pyrimidin-2-yldiazenyl)pyrimidin-5-yl)pyrimidin-2-amine
1H-imidazole
Synonym:
Source:
Melting Point:
Colour: dark orange
Extra Information:
Experimental
R-Factor (%): 4.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ASONON
Authors/Journal
Authors: Yantao Sun, Zili Cui, Lichuan Chen, Xiaofeng Lu, Yuewei Wu,
Hao-Li Zhang, Xiangfeng Shao
Journal: RSC Advances , 6, 79978, 2016
Chemical
Formula: C14 H12 S6,C1 S2
Name: 1,3,6,8-tetramethylthieno[3,4-b]thieno[3',4':5,6]
[1,4]dithiino[2,3-e][1,4]dithiine carbon disulfide
Synonym:
Source:
Colour: white
Extra Information:
Experimental
R-Factor (%): 5.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ATEXOM
Authors/Journal
Authors: R.Faraoni, R.K.Castellano, V.Gramlich, F.Diederich
Journal: Chem.Commun. , , 370, 2004
Chemical
Name: 1,5,7-Trimethyl-2,4-dioxo-N-(quinol-8-yl)-3-
azabicyclo(3.3.1)nonane-7-carboxamide 9-ethyladenine
Synonym: PDB Chemical Component code: 2EC
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.32
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ATICIP
Authors/Journal
Authors: A.I.Oliva, L.Simon, F.M.Muniz, F.Sanz, J.R.Moran
Chemical
Formula: C38 H39 Cl1 N4 O4,C7 H12 F3 N1 O4 S1
Name: (5aR*,6R*,11aR*)-2-Chloro-4-((5,7-di-t-butyl-1,3-benzoxazol-2-
yl)amino)-6-hydroxy-N-(pyrid-2-yl)-6,11,11a,12-tetrahydro-5aH-benzo(b)xanthene-5a-
carboxamide (R*)-N-(trifluoromethanesulfonyl)leucine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.45
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ATOVOX
Authors/Journal
Authors: Shang-Zhuo Wu, Qiang Yu, Yue-Hua Li, Guang-Hua Cui
Journal: Res.Chem.Intermed. , 47, 835, 2021
Chemical
Name: naphthalene-2,6-dicarboxylic acid 2-methyl-1-(2-((2-methyl-1H-
benzimidazol-1-yl)methyl)benzyl)-1H-benzimidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AVEJIX01
Authors/Journal
Authors: Qiwen Liu, Dezhi Yang, Ting Chen, Baoxi Zhang, Cheng Xing, Li
Zhang, Yang Lu, Guanhua Du
Chemical
Name: 4-hydroxybenzoic acid 2-(cyclohexanecarbonyl)-1,2,3,6,7,11b-
hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Synonym: Praziquantel 4-hydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information: Praziquantel (PRA) is the drug of choice for treating and
controlling schistosomiasis
Experimental
R-Factor (%): 4.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AVENOF
Authors/Journal
Authors: J.Karpinska, A.Erxleben, P.McArdle
Chemical
Name: bis(17beta-Hydroxy-17alpha-methylandrostano[3,2-c]pyrazole)
Synonym: bis(Stanozolol); Stromba; Winstrol; DrugBank: DB06718
Source:
Melting Point:
Colour: colorless
Extra Information: anabolic steroid
Experimental
R-Factor (%): 3.8
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AVIPEA
Authors/Journal
Authors: A.L.Spek, J.L.de Boer
Chemical
Formula: C40 H36 O5 P2,C8 H8 O3
Name: 1,5-bis(2-(Diphenylphosphinoyl)phenoxy)-3-oxapentane (R)-
mandelic acid
Synonym: 2,2'-bis(2-(Oxo-diphenylphosphino)phenyloxy)-diethyl ether
(R)-mandelic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AVUMIQ
Authors/Journal
Authors: mingshun mei
Chemical
Formula: C29 H24 N2 O4 S1,C7 H7 N1 S1
Name: methyl 1-methyl-2,4''-dioxo-2'',5'-diphenyl-1,2-
dihydrodispiro[indole-3,2'-cyclopent[3]ene-1',5''-[1,3]thiazolidine]-3'-carboxylate
benzenecarbothioamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.67
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWABUW
Authors/Journal
Authors: Z.Dega-Szafran, A.Katrusiak, M.Szafran
Chemical
Formula: C11 H19 N1 O2,2(C7 H6 O3)
Name: 2-(1-Azoniabicyclo[2.2.2]oct-1-yl)butanoate bis(4-
hydroxybenzoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 293
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWEVUV
Authors/Journal
Authors: A.Nayak, V.R.Pedireddi
Chemical
Name: bis(4-nitrophenol) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWEWAC
Authors/Journal
Chemical
Name: bis(4-nitrophenol) 4,4'-ethane-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.81
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWEWEG
Authors/Journal
Chemical
Name: bis(4-nitrophenol) 4,4'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWEWIK
Authors/Journal
Chemical
Name: 4-nitrophenol 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.42
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWEWOQ
Authors/Journal
Chemical
Name: bis(4-nitrophenol) phenazine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.52
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWEXEH
Authors/Journal
Chemical
Name: 4-nitrophenol acridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.32
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWEXIL
Authors/Journal
Chemical
Formula: 2(C6 H5 N1 O3),C4 H4 N2
Name: bis(4-nitrophenol) pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.09
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWIHOE
Authors/Journal
Authors: E.A.Losev, B.A.Zakharov, T.N.Drebushchak, E.V.Boldyreva
Journal: Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. , 67, o297, 2011
Chemical
Name: Glycine glutaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.77
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWIHOE01
Authors/Journal
Authors: B.Riscob, M.Shakir, J.K.Sundar, S.Natarajan, M.A.Wahab,
G.Bhagavannarayana
Journal: Spectrochim.Acta,Part A , 78, 543, 2011
Chemical
Name: ammonioacetate pentanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWIHOE02
Authors/Journal
Authors: B.A.Zakharov, E.A.Losev, B.A.Kolesov, V.A.Drebushchak,
E.V.Boldyreva
Chemical
Name: glutaric acid glycine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.75
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWIHOE11
Authors/Journal
Authors: B.A.Zakharov, E.A.Losev, E.V.Boldyreva
Chemical
Name: Ammonioacetate pentanedioic acid
Synonym: glutaric acid glycine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.95
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: 0.1 GPa; at 293 K
CCDC Notes:
REFCODE: AWIHOE12
Authors/Journal
Authors: B.A.Zakharov, E.A.Losev, E.V.Boldyreva
Chemical
Name: Ammonioacetate pentanedioic acid
Synonym: glutaric acid glycine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.11
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: at 700000.0 kPa; at 293 K
CCDC Notes:
REFCODE: AWITIM
Authors/Journal
Authors: N.Kumari, B.Bhattacharya, P.Roy, A.A.L.Michalchuk, Franziska
Emmerling, Animesh Ghosh
Chemical
Name: but-2-enedioic acid bis(5-methyl-1-phenylpyridin-2(1H)-one)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.49
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWITOS
Authors/Journal
Authors: N.Kumari, B.Bhattacharya, P.Roy, A.A.L.Michalchuk, Franziska
Emmerling, Animesh Ghosh
Chemical
Name: benzene-1,3,5-tricarboxylic acid 5-methyl-1-phenylpyridin-
2(1H)-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.38
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWUDEB
Authors/Journal
Authors: Jun Zhu, Ji-Min Zheng
Chemical
Name: 3,5-Dinitrobenzoic acid nicotinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.35
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWUPIU
Authors/Journal
Authors: Wei Wang, Lixing Luo, Zongqiong Lin, Zifeng Mu, Zhengkun Ju,
Bo Yang, Yang Li, Menglu Lin, Guankui Long, Jing Zhang, Jianfeng Zhao, Wei Huang
Journal: J.Mater.Chem.C , 9, 7928, 2021
Chemical
Name: 9-(dicyanomethylidene)-9H-indeno[1,2-b]pyrazine-2,3-
dicarbonitrile perylene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 8.96
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWUPIU01
Authors/Journal
Authors: Wei Wang, Lixing Luo, Zongqiong Lin, Zifeng Mu, Zhengkun Ju,
Bo Yang, Yang Li, Menglu Lin, Guankui Long, Jing Zhang, Jianfeng Zhao, Wei Huang
Chemical
Name: 9-(dicyanomethylidene)-9H-indeno[1,2-b]pyrazine-2,3-
dicarbonitrile perylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.86
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWUQUF
Authors/Journal
Authors: Guang-Yin Wang
Chemical
Name: 2,2'-(1,4-Phenylenebis(oxy))diacetic acid 4,4'-
disulfanediyldipyridine
Synonym: bis(4-pyridyl) disulfide 2,2'-(p-phenylenebis(oxy))diacetic
acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.31
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWUVAR
Authors/Journal
Authors: A.K.Srivastava, Avinash Singh, L.Mishra
Journal: J.Phys.Chem.A , 120, 4490, 2016
Chemical
Name: 4-((1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)methyl)benzoic
acid N,N-dimethylformamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWUVEU
Authors/Journal
Authors: Jian-Li Lin, Xia-Xia Guo, Wen-Xiang Huang
Chemical
Name: Cyclopentane-1,2,3,4-tetracarboxylic acid 2,2'-bipyridine
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 3.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWUWAT
Authors/Journal
Authors: V.Martinez, N.Bedekovic, V.Stilinovic, D.Cincic
Chemical
Name: bis(3-hydroxy-1-phenyl-3-(pyridin-4-yl)prop-2-en-1-one)
1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym: bis(benzoyl-(4-pyridoyl)methane) 1,4-diiodotetrafluorobenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWUWEX
Authors/Journal
Chemical
Name: 3-hydroxy-1-phenyl-3-(pyridin-4-yl)prop-2-en-1-one 1,3,5-
trifluoro-2,4,6-triiodobenzene
Synonym: benzoyl-(4-pyridoyl)methane1,3,5-triiodotrifluorobenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWUWOH
Authors/Journal
Chemical
Name: 3-hydroxy-1-phenyl-3-(pyridin-4-yl)prop-2-en-1-one 1,2,3,4-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AWUXAU
Authors/Journal
Chemical
Name: 3-hydroxy-1-phenyl-3-(pyridin-4-yl)prop-2-en-1-one 1,2,3,4,5-
pentafluoro-6-iodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.68
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXAKUG
Authors/Journal
Authors: Sheng-Bo Liu, Chao Xu, Taike Duan, Qun Chen, Qian-Feng Zhang
Chemical
Formula: 1.5(C10 H8 N2),2(C7 H5 N1 O4)
Name: sesquikis(4,4'-Bipyridine) bis(pyridine-3,5-dicarboxylic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.41
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXILUQ
Authors/Journal
Authors: Hong-Juan Li, Lei Wang, Juan-Juan Zhao, Ju-Feng Sun, Ji-Liang
Sun, Chun-Hua Wang, Gui-Ge Hou
Chemical
Name: 2,6-bis(pyridin-4-ylmethylene)cyclohexanone benzene-1,4-diol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.58
Temperature: 298
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXIMAX
Authors/Journal
Chemical
Name: 2,6-bis(pyridin-4-ylmethylene)cyclohexanone isophthalic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.95
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXOGIE
Authors/Journal
Authors: P.Sanphui, N.R.Goud, U.B.R.Khandavilli, A.Nangia
Chemical
Formula: C21 H20 O6,C6 H6 O2
Name: 5-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-
3-one benzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.87
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXOJAB
Authors/Journal
Authors: Harsh Jain, D.Sutradhar, S.Roy, G.R.Desiraju
Chemical
Formula: 2(C8 H8 O2),C6 F4 I2
Name: bis(4-methoxybenzaldehyde) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXOJOP
Authors/Journal
Chemical
Formula: 4(C16 H10),C6 F4 I2
Name: 1,2,4,5-tetrafluoro-3,6-di-iodobenzene tetra-pyrene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXOJUV
Authors/Journal
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene bis(3-nitropyridine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXOKAC
Authors/Journal
Chemical
Name: bis(3-(4-nitrophenyl)prop-2-enal) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXOKEG
Authors/Journal
Chemical
Formula: C8 H6 O2,C6 F4 I2
Name: benzene-1,4-dicarbaldehyde 1,2,4,5-tetrafluoro-3,6-di-
iodobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXOKIK
Authors/Journal
Chemical
Formula: C13 H9 N1,C6 H3 I1 N2 O4
Name: 1-iodo-3,5-dinitrobenzene acridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXORUD
Authors/Journal
Authors: Yue Shen, Shiyin Wang, Xiangyu Zhang, Nan Li, Haichao Liu,
Bing Yang
Chemical
Formula: 2(C22 H14),3(C10 H2 N4)
Name: tris(benzene-1,2,4,5-tetracarbonitrile) bis(9-
(phenylethynyl)anthracene)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information: Luminescent
Experimental
R-Factor (%): 6.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AXOSAK
Authors/Journal
Authors: Yue Shen, Shiyin Wang, Xiangyu Zhang, Nan Li, Haichao Liu,
Bing Yang
Chemical
Formula: C22 H14,C10 F8
Name: octafluoronaphthalene 9-(phenylethynyl)anthracene
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 7.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYIJUP
Authors/Journal
Authors: J.B.Baruah
Chemical
Formula: C13 H10 O4 S1,C9 H7 N1
Name: 3-((3,4-dioxo-3,4-dihydronaphthalen-1-yl)sulfanyl)propanoic
acid quinoline
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.31
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYIKAW
Authors/Journal
Authors: J.B.Baruah
Chemical
Name: 3-((3,4-dioxo-3,4-dihydronaphthalen-1-yl)sulfanyl)propanoic
acid isoquinoline
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.12
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYIKOK
Authors/Journal
Authors: J.B.Baruah
Chemical
Formula: C14 H10 O4 S2,2(C6 H7 N1)
Name: 2,2'-disulfanediyldibenzoic acid bis(4-methylpyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.07
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYIKUQ
Authors/Journal
Authors: J.B.Baruah
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.79
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYILAX
Authors/Journal
Authors: J.B.Baruah
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.83
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYILEB
Authors/Journal
Authors: J.B.Baruah
Chemical
Name: 2,2'-disulfanediyldibenzoic acid bis(isoquinoline)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.13
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYILIF
Authors/Journal
Authors: J.B.Baruah
Chemical
Name: 2,2'-Disulfanediyldibenzoic acid bis(quinoline)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.28
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYILOL
Authors/Journal
Authors: J.B.Baruah
Chemical
Formula: C14 H10 O4 S2,2(C4 H9 N1 O1)
Name: 2,2'-disulfanediyldibenzoic acid bis(N,N-dimethylacetamide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYINUT
Authors/Journal
Authors: J.B.Baruah
Chemical
Formula: 2(C17 H14 N2 O1),C4 H8 N2 O2
Name: bis((2,3-dimethylquinoxalin-6-yl)(phenyl)methanone) N,N'-
dihydroxybutane-2,3-diimine
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.39
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYIVIP
Authors/Journal
Authors: J.B.Baruah
Chemical
Name: bis(N-phenyl-N'-quinolin-5-ylurea) hexanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.55
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYIWEM
Authors/Journal
Authors: J.B.Baruah
Chemical
Name: 3,4,5-trihydroxybenzoic acid quinolin-8-amine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYIWIQ
Authors/Journal
Authors: J.B.Baruah
Chemical
Name: terephthalic acid bis(quinazolin-4(3H)-one)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.79
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYOJEF
Authors/Journal
Authors: J.B.Baruah
Chemical
Name: ((3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-
yl)sulfanyl)acetic acid 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 11.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYOROW
Authors/Journal
Authors: M.H.Bhatti, U.Yunus, S.Saeed, S.R.Shah, W.-T.Wong
Chemical
Name: 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione (1,3-dioxo-
1,3-dihydro-2H-isoindol-2-yl)acetic acid
Synonym: 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione caffeine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.42
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AYUMEN
Authors/Journal
Authors: A.A.A.Abdalsalam, M.T.M.Al-Dajani, N.Mohamed, M.Hemamalini,
H.-K.Fun
Chemical
Formula: C7 H5 N1 S1,0.5(C2 H2 O4)
Name: 1,3-Benzothiazole hemikis(oxalic acid)
Synonym:
Source: juice of Guava (Psidium guajava)
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.78
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AZACEJ
Authors/Journal
Authors: Z.Dega-Szafran, G.Dutkiewicz, Z.Kosturkiewicz, M.Petryna
Chemical
Name: 1-Piperidiniumacetate 2,4-dinitrophenol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AZAXIK
Authors/Journal
Authors: Hao Wang, Hongping Xiao, Na Liu, Bo Zhang, Qian Shi
Journal: Open Journal of Inorganic Chemistry , 5, 63, 2015
Chemical
Name: 1-(((5-nitro-2-furyl)methylene)amino)imidazolidine-2,4-dione
2,2'-bipyridine
Synonym: bis(nitrofurantoin) 2,2'-bipyridine
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AZAXOQ
Authors/Journal
Authors: Hao Wang, Hongping Xiao, Na Liu, Bo Zhang, Qian Shi
Journal: Open Journal of Inorganic Chemistry , 5, 63, 2015
Chemical
Name: 1-(((5-nitro-2-furyl)methylene)amino)imidazolidine-2,4-dione
1,10-phenanthroline
Synonym: nitrofurantoin 1,10-phenanthroline
Source:
Melting Point:
Colour: dark green
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: AZOVUH
Authors/Journal
Authors: P.Rajakannu, F.Hussain, M.Sathiyendiran
Chemical
Formula: C10 H8 N2,2(C7 H6 O2 S1)
Name: bis(3-(3-Thienyl)acrylic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BACXEM
Authors/Journal
Authors: Haibin Qu, Shasha Jin, Junbo Gong, Shichao Du, Lina Jia,
Songgu Wu
Chemical
Formula: C16 H15 F2 N3 Si1,C12 H14 N4 O4 S2
Name: dimethyl (1,2-phenylenedicarbamothioyl)biscarbamate 1-{[bis(4-
fluorophenyl)(methyl)silyl]methyl}-1H-1,2,4-triazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.45
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BADCOY10
Authors/Journal
Authors: H.Chanzy, E.Maia, S.Perez
852, 1982
Chemical
Name: N-Methylmorpholine-N-oxide trans-cyclohexane-1,2-diol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BAGDUK
Authors/Journal
Authors: K.Kapoor, V.K.Gupta, Rajnikant, P.M.Vyas, M.J.Joshi, S.D.Tada,
S.M.Sarothia, H.S.Joshi
Journal: X-ray.Str.Anal.Online. , 27, 59, 2011
Chemical
Name: 5-Isopropyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one bis(3-
isopropyl-1-phenyl-1H-pyrazol-5-ol)
Synonym:
Source:
Melting Point:
Colour: light yellow
Extra Information:
Experimental
R-Factor (%): 4.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BAHFEV
Authors/Journal
Authors: J.D.Wright, Z.A.Ahmad
1848, 1981
Chemical
Name: Dibenzothiophene 7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 8.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BAHLAX10
Authors/Journal
Authors: F.Toda, K.Tanaka, H.Ueda, T.Oshima
Journal: Isr.J.Chem. , 25, 338, 1985
Chemical
Formula: C23 H26 N2 O4,C15 H11 Br1 O1
Name: Brucine (-)-1-(o-bromophenyl)-1-phenyl-2-propynol
Synonym:
Source:
Melting Point:
Colour:
Extra Information: absolute configuration
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes: v is given as 3320.7; we calculate 3220.67. bond C1 C10 is
given as 5.532. This has been changed to 1.532. The C count is given as 28 in the
paper. It should be 38. y(C6)= 0.8797 not 0.8979; z(C10)= 0.1661 not 0.0166;
y(C17)= 0.7419 not 0.7410
REFCODE: BAJFEX
Authors/Journal
Authors: Yanchang Shen, Ping Li, Jiahong Ni, Jie Sun
Chemical
Formula: C16 H19 F3 N1 O5 P1,C6 H4 N2 O4
Name: Diethyl 3-(trifluoromethyl)-5-(4'-nitrophenyl)-2,4-pentadien-
2-ylphosphonate 1,4-dinitrobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BAKLOQ
Authors/Journal
Authors: Yong-Ming Zeng, Sheng-Qin Chen, Fang-Ming Liu
Chemical
Formula: C26 H18 Cl2 N6 S1,C26 H18 Cl2 N6 S1
Name: 1-(2-(3,5-Bis(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-
(1,2,4-triazin-2-ium-2-yl)-1,3-thiazol-5-yl)cyclopenta-2,4-dienide 1-(2-(3,5-bis(4-
chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl)-4-phenyl-1,3-thiazol-5-yl)-1H-1,2,4-
triazole
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BALDUO
Authors/Journal
Authors: Z.Dega-Szafran, A.Katrusiak, M.Szafran, M.Szczepanski
Chemical
Name: 2-(N-Methylpiperidinium)acetate 2,4-dinitrophenol
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BALNAD10
Authors/Journal
Authors: T.J.Emge, F.M.Wiygul, J.S.Chappell, A.N.Bloch, J.P.Ferraris,
D.O.Cowan, T.J.Kistenmacher
Journal: Mol.Cryst.Liq.Cryst. (Discontinued) , 87, 137, 1982
Chemical
Name: Dibenzotetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BALNAD11
Authors/Journal
Authors: T.Salzillo, A.Campos, M.Mas-Torrent
Chemical
Name: dibenzotetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane
Synonym: 2-(2H-1,3-benzodithiol-2-ylidene)-2H-1,3-benzodithiole 2,2'-
(cyclohexa-2,5-diene-1,4-diylidene)dipropanedinitrile
Source:
Melting Point:
Colour: dark black brown
Extra Information:
Experimental
R-Factor (%): 7.21
Temperature: 303
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BALVAL
Authors/Journal
Authors: Z.Isabaev, B.T.Ibragimov, S.A.Talipov, M.T.Saibova, T.F.Aripov
Journal: Zh.Neorg.Khim.(Russ.)(Russ.J.Inorg.Chem.) , 26, 2011, 1981
Chemical
Formula: 2(C2 H7 N1 O1),H3 O4 P1
Name: bis(Ethanolamine) phosphoric acid
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BAMZUN
Authors/Journal
Authors: E.Eikeland, M.K.Thomsen, S.R.Madsen, J.Overgaard,
M.A.Spackman, Bo B.Iversen
Chemical
Formula: C6 H6 O2,0.22(C1 H2 O2)
Name: hydroquinone formic acid
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 294
Intensity Meas: 3
Disorder:
Extra Information: 0.38 GPa; 294.2 K
CCDC Notes:
REFCODE: BAMZUN01
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.74
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BAMZUN02
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.79
Temperature: 294
Intensity Meas: 3
Disorder:
Extra Information: 5.02 GPa; 294 K
CCDC Notes:
REFCODE: BAMZUN03
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 9.26
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BAMZUN04
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 16.08
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BAMZUN05
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 16.14
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BAMZUN06
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 17.07
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BANFII
Authors/Journal
Chemical
Formula: C6 H6 O2,x(C1 H2 O2)
Synonym: DrugBank: DB09526
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 20.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: The formic acid guest molecule could not be modelled
REFCODE: BAQTOC
Authors/Journal
Authors: M.Arca, F.Demartin, J.A.Devillanova, A.Garau, F.Isaia,
V.Lippolis, G.Verani
Journal: J.Chem.Soc.,Dalton Trans. , , 3069, 1999
Chemical
Formula: C18 H15 P1 S1,3(I2)
Name: Triphenylphosphine sulfide tris(di-iodine)
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BARAAD
Authors/Journal
Authors: S.H.Kim, A.Rich
Journal: Proc.Nat.Acad.Sci.USA , 60, 402, 1968
Chemical
Formula: C12 H12 N2 O3,2(C7 H8 Br1 N5)
Name: 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione 8-bromo-9-
ethyl-9H-purin-6-amine
Synonym: Phenobarbital 8-bromo-9-ethyl-9H-purin-6-amine; 5-Ethyl-5-
phenylbarbituric acid-8-bromo-9-ethyladenine
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BARAPY10
Authors/Journal
994, 1974
Chemical
Formula: C8 H12 N2 O3,2(C5 H6 N2)
Name: 5,5-Diethylbarbituric acid bis(2-aminopyridine)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Coordinates of C2 and C5 have been calculated. H81 y 0.617,
not 0.637
REFCODE: BARBAM
Authors/Journal
974, 1974
Chemical
Name: 5,5-Diethylbarbituric acid acetamide
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BARBUR
Authors/Journal
Authors: G.L.Gartland, B.M.Craven
980, 1974
Chemical
Name: 5,5-Diethylbarbituric acid urea
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BARHMP
Authors/Journal
1299, 1974
Chemical
Formula: 2(C8 H12 N2 O3),C6 H18 N3 O1 P1
Name: bis(Barbital)-hexamethylphosphoramide complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BARIMZ10
Authors/Journal
988, 1974
Chemical
Name: 5,5-Diethylbarbituric acid-imidazole complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BARMIM
Authors/Journal
Authors: A.Wang, B.M.Craven
Chemical
Name: Barbital 1-methylimidazole
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BARMPN
Authors/Journal
998, 1974
Chemical
Name: 5,5-Diethylbarbituric acid-N-methyl-2-pyridone complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: C41 x 1.250, not 0.1250
REFCODE: BASYOL
Authors/Journal
Authors: Shouwen Jin, Pinhui Yan, Daqi Wang, Yijie Xu, Yingyan Jiang,
Liangliang Hu
Chemical
Formula: C7 H5 Br1 N2 S1,C7 H5 N1 O4
Name: 6-Bromo-1,3-benzothiazol-2-amine 4-nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BASYUR
Authors/Journal
Liangliang Hu
Chemical
Formula: 2(C7 H5 Br1 N2 S1),C8 H6 O4
Name: bis(6-Bromo-1,3-benzothiazol-2-amine) terephthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.05
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BASYUR01
Authors/Journal
Authors: Shouwen Jin, Daqi Wang
Chemical
Formula: C8 H6 O4,2(C7 H5 Br1 N2 S1)
Name: terephthalic acid bis(6-bromo-1,3-benzothiazol-2-amine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.05
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BASZAY
Authors/Journal
Liangliang Hu
Chemical
Formula: C7 H5 Br1 N2 S1,0.5(C4 H4 O4)
Name: 6-Bromo-1,3-benzothiazol-2-amine hemikis(fumaric acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BATDUX
Authors/Journal
Authors: Shouwen Jin, Daqi Wang, Yanfei Huang, Hao Fang, Tianyi Wang,
Peixia Fu, Liangliang Ding
Chemical
Formula: C10 H9 N1,0.5(C4 H4 O4)
Name: 2-Methylquinoline hemikis(but-2-enedioic acid)
Synonym: 2-Methylquinoline hemikis(fumaric acid)
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BATYIH01
Authors/Journal
Authors: L.Rajput, M.Banik, J.R.Yarava, S.Joseph, M.K.Pandey,
Y.Nishiyama, G.R.Desiraju
Journal: IUCrJ , 4, 466, 2017
Chemical
Name: 4-nitrobenzoic acid 3-ethylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.46
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BAXGAI
Authors/Journal
Authors: R.C.Glen, P.Murray-Rust, F.G.Riddell, R.F.Newton, P.B.Kay
Journal: J.Chem.Soc.Chem.Comm. , , 25, 1982
Chemical
Formula: C7 H7 Br1 Cl2 O2,C7 H7 Br1 Cl2 O2
Name: 2-Bromo-4,4-dichloro-5-hydroxy-8-
oxatricyclo(3.2.1.0$3,6!)octane 2-bromo-7,7-dichloro-3-hydroxybicyclo(3.2.0)heptan-
6-one
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: To obtain given bond lengths beta should be 72.22 not 107.78
REFCODE: BAXWAY
Authors/Journal
Authors: N.A.Bell, I.W.Nowell, H.M.M.Shearer
Chemical
Formula: 0.5(C18 H30 Be2 N2),0.5(C18 H30 Be2 N2)
Name: bis((mu!2$-sigma$2!-Propynyl)-propynyl-trimethylamine-
beryllium) bis((mu!2$-sigma$1!,eta$2!-propynyl)-propynyl-trimethylamine-beryllium)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes: z-coord. of H(11) given as 0.800; should be 0.008
REFCODE: BAXWAY10
Authors/Journal
Authors: N.A.Bell, I.W.Nowell, G.E.Coates, H.M.M.Shearer
Journal: J.Organomet.Chem. , 273, 179, 1984
Chemical
Formula: 0.5(C18 H30 Be2 N2),0.5(C18 H30 Be2 N2)
Name: bis((mu!2$-sigma$2!-Propynyl)-propynyl-trimethylamine-
beryllium) bis((mu!2$-sigma$1!,eta$2!-propynyl)-propynyl-trimethylamine-beryllium)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: published dx and dm are 0.89; we calculate density as 0.98
REFCODE: BAZDAH
Authors/Journal
Authors: T.M.Shchegoleva, Z.A.Starikova, V.K.Trunov, O.B.Lantratova,
I.E.Pokrovskaya
Journal: Zh.Strukt.Khim.(Russ.)(J.Struct.Chem.) , 22, 93-4, 1981
Chemical
Formula: C16 H10,C12 H4 Cl4 O2
Name: Pyrene 3,3',5,5'-tetrachloro-diphenoxinone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BCYTGA
Authors/Journal
Authors: M.Ohki, A.Takenaka, H.Shimanouchi, Y.Sasada
Journal: Bull.Chem.Soc.Jpn. , 49, 3493, 1976
Chemical
Formula: C12 H15 N1 O6 S1,C4 H4 Br1 N3 O1
Name: N-Tosyl-L-glutamic acid 5-bromocytosine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.0
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BECPEH
Authors/Journal
Authors: Kun Zhao
Chemical
Formula: C25 H16 O1,0.5(C10 H2 N4)
Name: 1-phenyl-3-(pyren-1-yl)prop-2-en-1-one hemikis(benzene-
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BECPEH01
Authors/Journal
Authors: Kun Zhao, Huimin Wang, Hao Sun, Wen Tian, Shanguang Yang,
Jingjing Liu, Jing Peng, Mingliang Wang
Chemical
Formula: C25 H16 O1,0.5(C10 H2 N4)
Name: 1-phenyl-3-(pyren-1-yl)prop-2-en-1-one hemikis(benzene-
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 8.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BECPIL
Authors/Journal
Authors: Kun Zhao
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 1-phenyl-3-(pyren-1-yl)prop-
2-en-1-one
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.39
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BECPIL01
Authors/Journal
Chemical
Name: 1-phenyl-3-(pyren-1-yl)prop-2-en-1-one benzene-1,2,4,5-
tetracarbonitrile
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 7.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BECPOR
Authors/Journal
Authors: Kun Zhao
Chemical
Formula: 2(C8 H8 O4),C10 H2 N4
Name: bis(4-hydroxy-3-methoxybenzoic acid) benzene-1,2,4,5-
tetracarbonitrile
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BECPUX
Authors/Journal
Authors: Kun Zhao
Chemical
Formula: C26 H18 O2,0.5(C10 H2 N4)
Name: 1-(4-methoxyphenyl)-3-(pyren-1-yl)prop-2-en-1-one
hemikis(benzene-1,2,4,5-tetracarbonitrile)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.61
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BECPUX01
Authors/Journal
Chemical
Formula: C26 H18 O2,0.5(C10 H2 N4)
Name: 1-(4-methoxyphenyl)-3-(pyren-1-yl)prop-2-en-1-one
hemikis(benzene-1,2,4,5-tetracarbonitrile)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BEFGIC
Authors/Journal
Authors: R.M.Doherty, J.M.Stewart, A.D.Mighell, C.R.Hubbard,
A.J.Fatiadi
859, 1982
Chemical
Name: Pyrene 2-(3,4-diethoxy-2,5-dioxo-3-cyclopenten-1-ylidene)-
malononitrile
Synonym: Pyrene dicyanomethylenecroconate
Source:
Melting Point: 441-3K
Colour: ruby-red
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BENRIY
Authors/Journal
Authors: O.B.Bekker, D.N.Sokolov, O.A.Luzina, N.I.Komarova,
Y.V.Gatilov, S.N.Andreevskaya, T.G.Smirnova, D.A.Maslov, L.N.Chernousova,
N.F.Salakhutdinov, V.N.Danilenko
Journal: Med.Chem.Res. , 24, 2926, 2015
Chemical
Formula: C25 H19 N1 O6 S1,0.5(C25 H19 N1 O6 S1)
Name: (R)-2-acetyl-3,7,9-trihydroxy-8,9b-dimethyl-6-(2-phenyl-1,3-
thiazol-4-yl)dibenzo[b,d]furan-1(9bH)-one (R)-7,9-dihydroxy-2-(1-
hydroxyethylidene)-8,9b-dimethyl-6-(2-phenyl-1,3-thiazol-4-yl)dibenzo[b,d]furan-
1,3(2H,9bH)-dione
Synonym:
Source:
Colour: orange
Experimental
R-Factor (%): 4.46
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BENZSI
Authors/Journal
Authors: C.Romming
Journal: Acta Chem.Scand. , 14, 2145, 1960
Chemical
Formula: C14 H14 S1,I2
Name: Benzyl sulfide-iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.4
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BEPPAN
Authors/Journal
Authors: S.Sawusch, U.Schilde
Chemical
Formula: C16 H13 N1 O1 S1,C8 H7 N1 S1
Name: 3-Methyl-4H-benzo(b)(1,4)thiazin-2-yl-phenylmethanone 2-
methyl-benzo(d)(1,3)thiazole
Synonym:
Source:
Melting Point: 455K
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.84
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BEPYRZ10
Authors/Journal
Authors: T.Dahl, O.Hassel
Chemical
Formula: C4 H4 N2,C2 Br4
Name: pyrazine tetrabromoethene
Synonym: Pyrazine tetrabromoethylene
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.1
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BERMOB
Authors/Journal
Authors: C.-H.Chong, H.Yamochi, G.Saito
Journal: Synth.Met. , 135, 603, 2003
Chemical
Name: bis(2-(4-(1-Cyano-2-(1,3,3-trimethyl-3H-indol-2-
yl)ethenyl)phenyl)propanedinitrile) 7,7',8,8'-tetracyanoquinodimethane
Synonym:
Source:
Melting Point: 230-232deg.C(dec.)
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BERZED
Authors/Journal
Authors: T.Dahl
Journal: Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. , 55, 1568, 1999
Chemical
Formula: 2(C7 H9 N5),C2 I4
Name: bis(Dimethyladenine) tetraiodoethene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.03
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BEWFER
Authors/Journal
Authors: G.K.Kole, M.Kumar
Chemical
Name: thiourea 3-(2-(pyridin-4-yl)vinyl)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.07
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BEYPEA
Authors/Journal
Authors: T.Borowiak, M.Kubicki, W.Wysocka, A.Przybyl
Chemical
Formula: C15 H21 Br1 N2 O1,C4 H5 N1 O2
Name: 3-Bromomultiflorine succinimide
Synonym:
Source: original alkaloid from Lupinus albus seeds
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BEYVAD
Authors/Journal
Authors: Y.Takahashi, I.Fujii
Journal: Anal.Sci.:X-Ray Struct.Anal.Online , 20, x77, 2004
Chemical
Name: (R)-2-(Phenoxy)propionic acid (S)-alanine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [PAVYIW]
Experimental
R-Factor (%): 3.51
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BIBFOH
Authors/Journal
Authors: R.Kniep, H.D.Reski
Journal: Inorg.Chim.Acta , 64, L83, 1982
Chemical
Formula: C8 H12 S6,As1 I3
Name: 1,3,5,7-Tetramethyl-2,4,6,8,9,10-hexathia-adamantane tri-iodo-
arsenic
Synonym:
Source:
Melting Point:
Colour: orange-red
Extra Information:
Experimental
R-Factor (%): 7.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BIFYOE
Authors/Journal
Authors: R.E.Cassady, S.W.Hawkinson
2206, 1982
Chemical
Formula: C6 H7 N5,C3 H4 N2 O1 S1
Name: 9-Methyladenine 2-thiohydantoin
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BIGCUP
Authors/Journal
Authors: N.Shimizu, S.Nishigaki, Y.Nakai, K.Osaki
2309, 1982
Chemical
Name: 2,4-Diamino-5-(3,4,5-trimethoxybenzyl)-pyrimidine 5,5-
diethylbarbituric acid
Synonym:
Source:
Melting Point: 497K
Colour:
Extra Information: DTMBP is an antifolate drug, DBA is a hypnotic drug
Experimental
R-Factor (%): 7.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BIHZAU
Authors/Journal
Authors: Xian-Zhong Sun, Ming-Hua Zeng, Bao-Hui Ye
Chemical
Name: Thiophene-2,5-dicarboxylic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BIMSUM
Authors/Journal
Authors: G.Portalone, M.Colapietro
Chemical
Name: Maleic hydrazide 3-methyluracil
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BIRDIP
Authors/Journal
Authors: M.R.Bryce, A.S.Secco, J.Trotter, L.Weiler
Journal: Can.J.Chem. , 60, 2057, 1982
Chemical
Formula: C6 H4 S4,C6 H4 N2 O4
Name: Tetrathiafulvalene p-dinitrobenzene
Synonym:
Source:
Colour: black
Extra Information:
Experimental
R-Factor (%): 2.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BITROL
Authors/Journal
Authors: T.J.Emge, F.M.Wiygul, J.S.Chappell, A.N.Bloch, J.P.Ferraris,
D.O.Cowan, T.J.Kistenmacher
Chemical
Formula: C14 H8 S4,C12 H2 F2 N4
Name: Dibenzotetrathiafulvalene 2,5-difluoro-7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BITYUY
Authors/Journal
Authors: G.Weber
2712, 1982
Chemical
Name: 1,7,10,16-Tetraoxa-4,13-diazacyclo-octadecane
tetrakis(thiourea)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BIXBOC
Authors/Journal
Authors: A.Dalpiaz, V.Ferretti, V.Bertolasi, B.Pavan, A.Monari,
M.Pastore
Chemical
Name: 5H-dibenzo[b,f]azepine-5-carboxamide 6-phenyl-1,3,5-triazine-
2,4-diamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.87
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BIXFOD
Authors/Journal
Authors: H.Wiedenfeld, A.Kirfel, G.Koop
Journal: Arch.Pharm.Chem.Life Sci. , 315, 633, 1982
Chemical
Name: 2,3-Dimethyl-4-dimethylamino-1-phenyl-1,2-diazol-5-one
tris(thiourea)
Synonym: Aminophenazone tris(thiourea)
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x(C4) is -0.3227 not -0.3277
REFCODE: BIXFOD01
Authors/Journal
Authors: A.Terol, A.Chauvet, G.de Maury, J.Masse
Journal: Farmaco,Ed.Prat. , 42, 3, 1987
Chemical
Name: Aminophenazone tris(thiourea)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Coordinates of C16 missing from paper and have been
calculated. No reply to requests for H atom coordinates
REFCODE: BIYBIU10
Authors/Journal
Authors: C.Brierley, R.Barton, B.Robertson, R.Anthonj, N.Karl
Chemical
Formula: C12 H9 N1 S1,2(C10 H2 O6)
Name: Phenothiazine bis(pyromellitic dianhydride)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: dm is published as 1.55-1.59. C28-H28 is reported as 1.62;
atom H28 has been deleted. H32 has been deleted because of suspected error. Y for
C111 should be 0.8428
REFCODE: BIYNOP
Authors/Journal
Authors: Limin Dang, Saijin Huang, Aiwu Yin
Chemical
Formula: 2(C12 H7 Br1 N2),C6 F4 I2
Name: bis(2-bromo-1,10-phenanthroline) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 287
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BIZMAZ
Authors/Journal
Authors: Xiang-Gao Meng, Yi-Long Xiao, Hang Zhang, Chun-Shan Zhou
Chemical
Formula: 2(C6 H7 N3 O1),C14 H10 O4 S2
Name: bis(isonicotinohydrazide) 2,2'-dithiodibenzoic acid
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.72
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BIZPIL
Authors/Journal
Authors: Yang-Hui Luo, Dong-En Wu, Wen-Tao Song, Shu-Wang Ge, Bai-Wang
Sun
Chemical
Formula: C12 H24 O6,C7 H7 B1 F2 N1 O2
Name: 18-Crown-6 difluoro(2-oxybenzamidinium)borate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BIZYOA
Authors/Journal
Authors: F.R.Fronczek
Chemical
Formula: C8 H8 O4,C2 H2 Cl2 O2
Name: 2-hydroxy-4-methoxybenzoic acid dichloroacetic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.31
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BIZYUH
Authors/Journal
Authors: Teng Fei, Penghao Lv, Yujia Liu, Chunlin He, Chenghui Sun,
Siping Pang
Chemical
Name: bis(2,6-dimethoxy-3,5-dinitropyrazine) 1,3,4,7,8,10-
hexanitrooctahydro-1H-5,2,6-(epiminomethanetriylimino)imidazo[4,5-b]pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 296
Density (CCDC): 1.8
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BNQBRP
Authors/Journal
Authors: G.G.Shipley, S.C.Wallwork
Chemical
Formula: C6 H4 O2,C6 H5 Br1 O1
Name: p-Benzoquinone-p-bromophenol complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 21.0
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BNQCLP
Authors/Journal
Chemical
Name: p-Benzoquinone-p-chlorophenol complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 18.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes: Z COORDINATE OF O1 SHOULD BE 0.4130 NOT 0.4310
REFCODE: BNQDBP
Authors/Journal
Chemical
Formula: C6 H4 O2,2(C6 H5 Br1 O1)
Name: p-Benzoquinone-di(p-bromophenol) complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 16.0
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BNQDCP
Authors/Journal
Chemical
Formula: C6 H4 O2,2(C6 H5 Cl1 O1)
Name: p-Benzoquinone bis(p-chlorophenol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 13.1
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BODSAO
Authors/Journal
Authors: M.Pickering, R.W.H.Small
3161, 1982
Chemical
Name: Resorcinol urea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BODSUL
Authors/Journal
Authors: M.Manonmani, C.Balakrishnan, S.Rafi Ahamed, G.Vinitha,
S.P.Meenakshisundaram, R.M.Sockalingam
Chemical
Name: N-(4-hydroxyphenyl)acetamide 2,4,6-trinitrophenol
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 4.61
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOGGUZ
Authors/Journal
Authors: G.R.Desiraju, J.A.R.P.Sarma
Chemical
Name: 3,4-Dimethoxycinnamic acid 2,4-dinitrocinnamic acid
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The y coordinate of C7 should be 0.3104 not 0.3404
REFCODE: BOGGUZ10
Authors/Journal
Authors: J.A.R.P.Sarma, G.R.Desiraju
Chemical
Name: 3,4-Dimethoxycinnamic acid 2,4-dinitrocinnamic acid
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: y(C7)=.3104 not .3404
REFCODE: BOGRIZ
Authors/Journal
Authors: Hai-Mei Feng, Xin Wang, Ke-Wei Lei
Chemical
Name: bis(2-Hydroxy-4-methyl-N-propanoylbenzohydrazide) 2-hydroxy-N-
(2-hydroxy-4-methylbenzoyl)-6-methylbenzohydrazide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.69
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOHBIL
Authors/Journal
Authors: M.Itoh, Koji Hirano, T.Satoh, M.Miura
Chemical
Name: 1,4-dioxane 4,4'-(1,2-diphenylethane-1,2-diyl)dipyridine
Synonym: meso-1,2-Diphenyl-1,2-bis(pyridin-4-yl)ethane 1,4-dioxane
Source:
Melting Point: 504-505 K
Colour: white
Extra Information:
Experimental
R-Factor (%): 10.41
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOKJOD
Authors/Journal
Authors: S.Kandel, V.Sathish, L.Mathivathanan, A.N.Morozov, A.M.Mebel,
R.G.Raptis
Chemical
Formula: 2(C42 H42 N6),7(C6 H3 N3 O7)
Name: heptakis(2,4,6-trinitrophenol) bis(1,1',1''-[(2,4,6-
triethylbenzene-1,3,5-triyl)tris(methylene)]tris(4-phenyl-1H-pyrazole))
Synonym:
Source:
Melting Point:
Colour: golden
Extra Information:
Experimental
R-Factor (%): 10.15
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOMBOW
Authors/Journal
Authors: S.M.A.Mashhadi, U.Yunus, M.H.Bhatti, M.N.Tahir
Chemical
Name: 2,3-dihydroxybenzoic acid isonicotinohydrazide
Synonym: 2,3-dihydroxybenzoic acid pyridine-4-carbohydrazide
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.84
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOMBUC
Authors/Journal
Chemical
Name: 3,5-dihydroxybenzoic acid isonicotinohydrazide
Synonym: 3,5-dihydroxybenzoic acid pyridine-4-carbohydrazide
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOMCAJ
Authors/Journal
Chemical
Name: 3-hydroxybenzoic acid isonicotinohydrazide
Synonym: 3-hydroxybenzoic acid pyridine-4-carbohydrazide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.76
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOMDIQ
Authors/Journal
Authors: W.Hinrichs, G.Klar
Journal: J.Chem.Res. , 336, 3540, 1982
Chemical
Formula: C16 H16 O4 Se2,C12 H4 N4
Name: 2,3,7,8-Tetramethoxyselenanthrene 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: dark blue
Extra Information:
Experimental
R-Factor (%): 6.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BOMGUH
Authors/Journal
Authors: J.Soleimannejad, E.Nazarnia, H.Stoeckli-Evans
Chemical
Name: biphenyl-2,2'-dicarboxylic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BONGAP
Authors/Journal
Authors: Mohd Faizan, V.H.N.Rodrigues, S.Ahmad
Chemical
Name: 3,5-dinitrobenzoic acid 2,3-dimethylquinoxaline
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOQHOE
Authors/Journal
Authors: H.Ishida, S.Kashino
Chemical
Name: Chloranilic acid pyrazine
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BOQHOE05
Authors/Journal
Authors: Huiyu Liu, M.J.Gutmann, H.T.Stokes, B.J.Campbell, I.R.Evans,
J.S.O.Evans
Journal: Chem.Mater. , 31, 4514, 2019
Chemical
Name: 2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione
pyrazine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 1.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOTCET
Authors/Journal
Authors: D.R.Trivedi, Y.Fujiki, N.Fujita, S.Shinkai, K.Sada
Chemical
Name: N,N'-bis(4-Pyridyl)naphthalene diimide 1,5-naphthalenediol
Synonym: 2,7-bis(4-Pyridyl)benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone 1,5-naphthalenediol
Source:
Melting Point:
Colour: blue
Extra Information:
Experimental
R-Factor (%): 5.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOTCIX
Authors/Journal
Chemical
Name: N,N'-bis(4-Pyridyl)naphthalene diimide 2,6-naphthalenediol
Synonym: 2,7-bis(4-Pyridyl)benzo[lmn][3,8]phenanthroline-
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 8.11
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOTCOD
Authors/Journal
Chemical
Name: N,N'-bis(4-Pyridylmethyl)pyromellitic diimide 2,6-
naphthalenediol
Synonym: 2,6-bis(4-pyridylmethyl)pyrrolo[3,4-f]isoindole-
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOTCUJ
Authors/Journal
Chemical
naphthalenediol
Synonym: 2,6-bis(2-Pyridylmethyl)pyrrolo[3,4-f]isoindole-
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.74
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOTDAQ
Authors/Journal
Chemical
naphthalenediol
Synonym: 2,6-bis(2-Pyridylmethyl)pyrrolo[3,4-f]isoindole-
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOTRIL10
Authors/Journal
Authors: A.Uchida, Y.Ohashi, Y.Sasada, M.Moriya, T.Endo
Chemical
Name: 1-Isobutyl-3-(p-nitrobenzoyl)-urea 1-(p-dimethylaminophenyl)-
3-(phenylacetyl)-urea
Synonym:
Source:
Melting Point:
Colour: red-purple
Extra Information:
Experimental
R-Factor (%): 10.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BOVMEE
Authors/Journal
Authors: J.Fabry, J.Podlahova, J.Loub, V.Langer
1048, 1982
Chemical
Formula: C1 H4 N2 O1,H5 I1 O6
Name: Orthoperiodic acid urea
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BOWCIB
Authors/Journal
Authors: Xiaojuan Wu, Mingliang Wang, Man Du, Jiao Lu, Jinxi Chen,
Arshad Khan, R.Usman, Xiang Wei, Qi Feng, Chunxiang Xu
Chemical
Name: 2,2'-Cyclohexa-2,5-diene-1,4-diylidenedimalononitrile bis(1-
(5-(9-anthryl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.44
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOWCIB01
Authors/Journal
Authors: Xiaojuan Wu, Mingliang Wang, Man Du, Jiao Lu, Jinxi Chen,
Arshad Khan, R.Usman, Xiang Wei, Qi Feng, Chunxiang Xu
Chemical
Name: 2,2'-cyclohexa-2,5-diene-1,4-diylidenedimalononitrile 1-(5-(9-
anthryl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.35
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOWKAA
Authors/Journal
Chemical
Name: 1,4-Dimethylpiperazine di-betaine meso-tartaric acid
Synonym: 2,2'-(1,4-Dimethylpiperazinediium-1,4-diyl)diacetate meso-2,3-
dihydroxybutanedioic acid
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [ROKNAH]
Experimental
R-Factor (%): 5.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BOWSAJ
Authors/Journal
Authors: M.Andrzejewski, J.Marciniak, K.W.Rajewski, A.Katrusiak
Chemical
Formula: C3 H2 I2 N2,C3 H3 I1 N2
Name: 2,5-diiodo-1H-imidazole 5-iodo-1H-imidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.53
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes: The site of protonation of the imidazole nitrogen may be
incorrect
REFCODE: BOWSUB
Authors/Journal
Authors: T.J.Emge, W.A.Bryden, D.O.Cowan, T.J.Kistenmacher
Chemical
Formula: 2(C12 H12 Se4),C12 H4 N4
Name: bis(Hexamethylenetetraselenafulvalene) 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: dark green
Extra Information:
Experimental
R-Factor (%): 6.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x(C9) should be 0.3694, not 0.3964
REFCODE: BOXTET
Authors/Journal
Authors: B.Kamenar, C.K.Prout
Journal: J.Chem.Soc. , , 4838, 1965
Chemical
Formula: C6 N6 O6,C12 H12 S2
Name: Benzotrifuroxan-13,14-dithiatricyclo(8,2,1,1$4,7!)tetradeca-
4,6,10,12 tetraene
Synonym:
Source:
Melting Point:
Colour: bright yellow
Extra Information:
Experimental
R-Factor (%): 13.7
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes: All given bond lengths show considerable (up to 0.08 A)
deviations from those calculated from given coordinates. No ways of corrections
could be found; no reply from authors
REFCODE: BOYQOY
Authors/Journal
Authors: A.Mandal, Anwesha Choudhury, R.Kumar, P.K.Iyer, P.Mal
Chemical
Name: 2,2'-(cyclohexa-2,5-diene-1,4-diylidene)dipropanedinitrile
pyren-1-amine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 11.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BPHIPH
Authors/Journal
Authors: J.A.McMillan, D.Y.Curtin, I.C.Paul
2878, 1978
Chemical
Name: Indan-1,2,3-trione-2-(N-benzoyl-N-phenylhydrazone) indan-
1,2,3-trione-2-(N-phenylhydrazone)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BPPFBP
Authors/Journal
Authors: D.G.Naae
2765, 1979
Chemical
Name: Biphenyl perfluorobiphenyl complex
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: C12 z should be 0.79764, not 0.78764
REFCODE: BSXDMF
Authors/Journal
Authors: R.E.Cobbledick, R.W.H.Small
1659, 1973
Chemical
Name: 1,7-Diacetoxy-2,4,6-trinitro-2,4,6-triazaheptane-N,N-
dimethylformamide complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BTFZEP01
Authors/Journal
Authors: T.S.Cameron, C.K.Prout
447, 1972
Chemical
Formula: C6 H15 O4 P1,C6 N6 O3
Name: Triethyl phosphate benzotrifurazan
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 20.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BUBCOT
Authors/Journal
Authors: S.S.Fatima, R.Kumar, M.I.Choudhary, S.Yousuf
Chemical
Name: thiourea 6-methylideneandrosta-1,4-diene-3,17-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BUDWAY10
Authors/Journal
Authors: S.Fujita, A.Takenaka, Y.Sasada
Chemical
Name: 9-(2-Carboxyethyl)-guanine 1-methylcytosine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Density (CCDC): 1.5
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BUFCEL01
Authors/Journal
Authors: H.Thakuria, B.M.Borah, A.Pramanik, G.Das
Chemical
Formula: 0.5(C6 H6 N2 O2),C6 H3 N3 O7
Name: hemikis(4-nitroaniline) 2,4,6-trinitrophenol
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 7.77
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BUFXOP
Authors/Journal
Authors: T.Endo, H.Tasai, K.Miyazawa, M.Endo, K.Kato, A.Uchida,
Y.Ohashi, Y.Sasada
Chemical
Name: N-Isopentyl-N'-(p-nitrophenylcarbonyl)-urea N-(benzylacetyl)-
N'-(p-dimethylaminophenyl)-urea
Synonym:
Source:
Melting Point: 171-172.5deg.C
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 9.4
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes: H213 has been removed because of suspected error
REFCODE: BUHSIG
Authors/Journal
Authors: L.Pasimeni, G.Guella, C.Corvaja, D.A.Clemente, M.Vicentini
Chemical
Formula: C10 H2 N4,C12 H10
Name: Biphenyl 1,2,4,5-tetracyanobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BUKXOU
Authors/Journal
Authors: G.J.Ashwell, D.A.Kennedy, I.W.Nowell
Chemical
Name: 1,2-bis(4-Pyridyl)-ethylene 7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BULJID
Authors/Journal
Authors: P.Ravat, S.SeethaLekshmi, S.N.Biswas, P.Nandy, S.Varughese
Chemical
Name: 2-hydroxybenzoic acid 4,4'-diazene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 7.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BULJOJ
Authors/Journal
Chemical
Name: 4,4'-diazene-1,2-diyldipyridine 3,5-dinitrobenzamide
Synonym: (E)-1,2-bis(pyridine-4-yl)diazene 3,5-dinitrobenzamide
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BULKAW
Authors/Journal
Chemical
Formula: C10 H8 N4,C6 H4 I2
Name: (E)-1,2-di(pyridine-4-yl)diazene 1,4-diiodobenzene
Synonym: 1,4-diiodobenzene 4,4'-diazene-1,2-diyldipyridine
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 6.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BULKOK
Authors/Journal
Chemical
Name: 2-hydroxybenzoic acid 4,4'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.37
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BULLAX
Authors/Journal
Chemical
Name: benzene-1,3-diol 4,4'-diazene-1,2-diyldipyridine
Synonym: (E)-1,2-bis(pyridine-4-yl)diazene resorcinol
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 8.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BULLEB
Authors/Journal
Chemical
Name: 1,3,5-triazinane-2,4,6-trione 4,4'-diazene-1,2-diyldipyridine
Synonym: 1,2-bis(pyridine-4-yl)diazene caynuric acid
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 11.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BULTUZ01
Authors/Journal
Authors: A.Sowmya, G.N.Anil Kumar
Chemical
Formula: C7 H5 Br1 O2,C6 H4 N2
Name: 4-bromobenzoic acid pyridine-4-carbonitrile
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.72
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BUMPEE
Authors/Journal
Chemical
Formula: C15 H26 N2,C15 H11 Br1 O1
Name: (-)-Sparteine 1-(o-bromophenyl)-1-phenylprop-2-ynol
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: z(C9)=1.0602 not 1.1602
REFCODE: BUMPEE10
Authors/Journal
Chemical
Name: (-)-Sparteine (-)-1-(o-bromophenyl)-1-phenyl-2-propynol
Synonym:
Source:
Melting Point:
Colour:
Experimental
R-Factor (%): 6.7
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes: z(C9)= 1.0602 not 1.1602
REFCODE: BUNRAD01
Authors/Journal
Authors: J.J.Stezowski, R.-D.Stigler, N.Karl, K.Schuller
Chemical
Name: Phenothiazine phenazine
Synonym:
Source:
Melting Point:
Colour: red-black
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BUQTEP
Authors/Journal
Authors: Hongyu Guan, Yanhui Wu, Yang Han, Jiayou Liu, Dandan Huang,
Zhishan Liang, Zhengzheng Zhou, Fang Guo
Chemical
pyridine-4-carbohydrazide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.69
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: BURBAD
Authors/Journal
Authors: S.S.Tavale, T.D.Sakore, H.M.Sobell
Journal: J.Mol.Biol. , 43, 375, 1969
Chemical
Formula: C5 H5 Br1 N2 O2,C7 H8 Br1 N5
Name: 1-Methyl-5-bromouracil-9-ethyl-8-bromo-adenine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BUREAP
Authors/Journal
Authors: F.Mazza, H.M.Sobell, G.Kartha
Chemical
Formula: C7 H9 N5,C5 H5 Br1 N2 O2
Name: 1-Methyl-5-bromouracil-9-ethyl-2-aminopurine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 12.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BUVKOS
Authors/Journal
Authors: F.Vogtle, W.M.Muller, H.Puff, E.Friedrichs
Journal: Chem.Ber. , 116, 2344, 1983
Chemical
Name: 5,8,23,26,39,42,47,50-Octaoxa-2,11,20,29-tetra-
aza(12.12.8$2,11!.8$20,29!)(1,4)benzeno(2)phane p-xylene
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BUVKUY
Authors/Journal
Authors: F.Vogtle, W.M.Muller, H.Puff, E.Friedrichs
Journal: Chem.Ber. , 116, 2344, 1983
Chemical
Name: 2,5,26,29-Tetrabenzyl-2,5,26,29-tetra-aza(6.6)(4',4'')-o-
terphenylo(6)phane 1,4-dioxane
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: H541 deleted for suspected coordinate errors. H12 and H852
both bond to two atoms, they are probably in incorrect positions and have been
omitted from file
REFCODE: BUWCIF
Authors/Journal
Authors: R.M.Lobkovskaya, R.P.Shibaeva, O.N.Eremenko
Journal: Kristallografiya(Russ.)(Crystallogr.Rep.) , 28, 276, 1983
Chemical
Formula: C26 H18 Te2,C12 H4 N4
Name: 9,9'-trans-bis(Telluraxanthenyl) 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BUYSET10
Authors/Journal
Authors: G.Fodor, K.Sussangkarn, H.Mathelier, R.Arnold, I.Karle,
C.George
Chemical
Formula: 2(C11 H12 O7),C4 H4 O3
Name: bis(2-(5-Methyl-2-furyl)-3-keto-L-gulonolactone 3,6-hemiketal)
succinic anhydride
Synonym:
Source:
Colour: white
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: We calculate dx = 1.49
REFCODE: BZANTC10
Authors/Journal
Authors: D.E.Zacharias
Chemical
Formula: C14 H4 O6,C22 H14
Name: Dibenz(a,h)anthracene 1,8:4,5-naphthalenetetracarboxylic
anhydride
Synonym:
Source:
Melting Point:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BZAPMA10
Authors/Journal
Chemical
Name: Dibenz(a,h)anthracene pyromellitic dianhydride
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BZAPRM10
Authors/Journal
Authors: R.Foster, J.Iball, S.N.Scrimgeour, B.C.Williams
Chemical
Name: Benz(a)anthracene-pyromellitic dianhydride complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.25
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BZASUC
Authors/Journal
Authors: C.-M.Huang, L.Leiserowitz, G.M.J.Schmidt
Chemical
Name: Benzamide succinic acid
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BZATNB20
Authors/Journal
Chemical
Formula: C22 H14,2(C6 H3 N3 O6)
Name: Dibenz(a,h)anthracene bis(1,3,5-trinitrobenzene)
Synonym:
Source:
Melting Point:
Colour: dark orange
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BZHTIC10
Authors/Journal
Authors: F.H.Herbstein, W.Schwotzer
Chemical
Formula: C13 H12 N4 S1,I2
Name: 1,5-Diphenylthiocarbazone di-iodine
Synonym: Dithizone di-iodine
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.87
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: There are small, but significant, bond length discrepancies
involving N1, N2, C3, and N4 of the dithizone moiety. The author says
REFCODE: BZPCBQ
Authors/Journal
Authors: J.Bernstein, H.Regev, F.H.Herbstein
1716, 1977
Chemical
Formula: C18 H12,C8 Cl2 N2 O2
Name: Benzo(c)phenanthrene-2,3-dichloro-5,6-dicyanobenzoquinone
complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: X COORDINATE OF C4 CHANGED FROM 0.1747 TO - 0.1747 Z
COORDINATE OF C11 CHANGED FROM 0.1056 TO 0.1506 Y COORDINATE OF C10 CHANGED FROM
0.262 TO 0.362
REFCODE: BZPPAM
Authors/Journal
Authors: C.Brassy, J.-P.Mornon
Journal: C.R.Acad.Sci.,Ser.C (Chim) , 274, 1728, 1972
Chemical
Name: Benzophenone diphenylamine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 13.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BZQRES
Authors/Journal
Authors: T.Ito, M.Minobe, T.Sakurai
1145, 1970
Chemical
Name: p-Benzoquinone resorcinol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.5
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BZQTCQ10
Authors/Journal
Authors: B.Shaanan, U.Shmueli
2076, 1980
Chemical
Name: 7,8-benzoquinoline 7,7,8,8-Tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: dark violet
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: BZTCNQ
Authors/Journal
Authors: K.Yakushi, I.Ikemoto, H.Kuroda
835, 1974
Chemical
Name: Benzidine 7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Cell beta angle should perhaps be 108.84 (not 94.84) to give
bond length agreement
REFCODE: CACVAG
Authors/Journal
Authors: P.I.Hidalgo, S.Leal, C.A.Jimenez, E.Vohringer-Martinez,
B.Herrera, J.Pasan, C.Ruiz-Perez, D.W.Bruce
Chemical
Formula: 2(C22 H27 N3 O1 S1),C6 F3 I3
Name: bis(4-(5-(4-(nonyloxy)phenyl)-1,3,4-thiadiazol-2-yl)pyridine)
1,3,5-trifluoro-2,4,6-triiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CACVEK
Authors/Journal
Chemical
Name: 4-(5-(4-(decyloxy)phenyl)-1,3,4-oxadiazol-2-yl)pyridine 1,3,5-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 14.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CACVIO
Authors/Journal
Chemical
Name: 4-(5-(4-(nonyloxy)phenyl)-1,3,4-oxadiazol-2-yl)pyridine 1,3,5-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CACVOU
Authors/Journal
Chemical
Name: 4-(5-(4-(octyloxy)phenyl)-1,3,4-oxadiazol-2-yl)pyridine 1,3,5-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CACVUA
Authors/Journal
Chemical
Name: 4-(5-(4-(heptyloxy)phenyl)-1,3,4-oxadiazol-2-yl)pyridine
1,3,5-trifluoro-2,4,6-triiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CACWAH
Authors/Journal
Chemical
Name: 4-(5-(4-(hexyloxy)phenyl)-1,3,4-oxadiazol-2-yl)pyridine 1,3,5-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAFSAL
Authors/Journal
Authors: E.Shefter
Chemical
Name: Caffeine-5-chlorosalicylic acid complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: SUSPECTED ERROR IN COORDS.OF H1,H2 THESE ATOMS REMOVED
REFCODE: CAFWAH
Authors/Journal
Authors: K.Kozawa, T.Uchida
Chemical
Name: Perylene 2,3,5,6-tetrachloro-2,5-cyclohexadiene-1,4-dione
complex
Synonym: Perylene chloranil complex
Source:
Melting Point:
Colour: dark blue
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAHLON
Authors/Journal
Authors: M.B.Zaman, M.Tomura, Y.Yamashita
Chemical
Name: 4,4'-Dipyridylacetylene 3,6-dihydroxy-1,4-benzoquinone
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 296
Intensity Meas: 3
Disorder:
Extra Information: at 296K
CCDC Notes:
REFCODE: CAHLUT
Authors/Journal
Chemical
Name: 2,2'-Dipyridylacetylene 2,5-dibromo-3,6-dihydroxy-1,4-
benzoquinone
Synonym:
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAHXQX
Authors/Journal
Authors: A.Stepien
2854, 1977
Chemical
Formula: C8 H6 Cl1 N3 O2,0.52(H1 Cl1)
Name: 5-Chloro-7-amino-2,3-dihydroxyquinoxaline hydrochloride
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAJQAG
Authors/Journal
Authors: T.L.Nguyen, F.W.Fowler, J.W.Lauher
Chemical
Name: N,N'-Diglycineoxamide N,N'-bis(3-pyridylmethyl)oxamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAJQEK
Authors/Journal
Chemical
Name: N,N'-bis(3-Pyridylmethyl)oxamide N,N'-dicarboxymethylurea
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAJQIO
Authors/Journal
Chemical
Name: N,N'-bis(3-pyridylmethyl)urea N,N'-diglycineoxamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAJQOU
Authors/Journal
Chemical
Name: N,N'-bis(3-pyridylmethyl)urea N,N'-dicarboxymethylurea
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAJRAH
Authors/Journal
Chemical
Name: N,N'-bis(4-pyridylmethyl)oxamide N,N'-bis(carboxymethyl)urea
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAJRIP
Authors/Journal
Chemical
Name: N,N'-bis(4-pyridylmethyl)urea N,N'-dicarboxymethylurea
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAKDEA
Authors/Journal
Authors: Y.Amharar, A.Grandeury, M.Sanselme, S.Petit, G.Coquerel
Journal: J.Phys.Chem.B , 116, 602, 2012
Chemical
Formula: C63 H112 O35,2(C8 H9 F1 O1)
Name: permethyl-beta-cyclodextrin bis((-)-1-(4-fluorophenyl)ethanol)
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 11.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAKYOE
Authors/Journal
Authors: S.Varughese, Y.Azim, G.R.Desiraju
Chemical
Formula: C17 H13 Cl1 N4,C6 H3 Cl3 O1
Name: 8-Chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a]
[1,4]benzodiazepine 2,4,6-trichlorophenol
Synonym: Alprazolam 2,4,6-trichlorophenol; PDB Chemical Component code:
08H; PDB Chemical Component code: T6C
Source:
Melting Point:
Colour: colorless
Extra Information: Alprazolam is a benzodiazepine class drug used to treat
moderate to severe anxiety disorders, panic attacks, and depression
Experimental
R-Factor (%): 3.31
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAKYUK
Authors/Journal
Chemical
Formula: C17 H13 Cl1 N4,0.5(C6 H8 B2 O4)
[1,4]benzodiazepine hemikis(1,4-phenylenediboronic acid)
Synonym: Alprazolam hemikis(1,4-benzenediboronic acid)
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.25
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAKZAR
Authors/Journal
Chemical
Formula: C17 H13 Cl1 N4,C6 H7 B1 O3
[1,4]benzodiazepine (4-hydroxyphenyl)boronic acid
Synonym: Alprazolam 4-hydroxyphenylboronic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.58
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAKZEV
Authors/Journal
Chemical
Formula: C17 H13 Cl1 N4,0.5(C6 H6 O2)
[1,4]benzodiazepine hemikis(benzene-1,4-diol)
Synonym: Alprazolam hemikis(hydroquinone)
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.06
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAMKOT
Authors/Journal
Authors: Qing Zhu Liu, Shan Shan Wang, Teng Fei Wang, Jian Guo Lin, Xue
Hai Ju, Ling Qiu
Journal: J.Chem.Sci.(Bangalore,India) , 128, 1895, 2016
Chemical
Formula: 2(C8 H7 Br1 O2),C24 H22 N4
Name: bis(3-bromo-2-methylbenzoic acid) 4,4',4'',4'''-butane-
1,2,3,4-tetrayltetrapyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CANANP
Authors/Journal
Authors: H.Tamura, K.Ogawa
Journal: Cryst.Struct.Commun. , 6, 517, 1977
Chemical
Formula: C6 Cl4 O2,C10 H10 N2
Name: Chloranil 1,5-diaminonaphthalene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CANANP03
Authors/Journal
Authors: R.K.Behera, N.Rajesh Goud, A.J.Matzger, J.Bredas, V.Coropceanu
Journal: J.Phys.Chem.C , 121, 23633, 2017
Chemical
Formula: C10 H10 N2,C6 Cl4 O2
Name: 2,3,5,6-tetrachloro-1,4-benzoquinone naphthalene-1,5-diamine
Synonym: 1,5-diaminonapthelene chloranil
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.55
Temperature: 285
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CANLUY
Authors/Journal
Authors: K.Onogi, M.Kido, M.Hori, T.Kataoka, H.Shimizu
Chemical
Formula: C20 H15 Cl1 O1 S1,C2 H4 Cl2
Name: 5-Chloro-5,11-epoxy-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAPKUB
Authors/Journal
Authors: Z.Dega-Szafran, G.Dutkiewicz, Z.Kosturkiewicz, M.Szafran
Chemical
Name: (1-Methylpiperidinium-1-yl)acetate 3,4-dihydroxycyclobut-3-
ene-1,2-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAPRES
Authors/Journal
Authors: Kh.P.Oya, R.M.Myasnikova, A.I.Kitaigorodskij
Chemical
Formula: 2(C6 H11 N1 O1),C6 H5 Cl1 O2
Name: epsilon-Caprolactam-4-chlororesorcinol
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: HYDROGEN ATOM H11 OF MOLECULE I REMOVED FOR SUSPECTED COORD.
ERROR
REFCODE: CAPTOC
Authors/Journal
Authors: D.Zobel, G.Ruban
Chemical
Name: Dithieno(3,2-b:2',3'-d)thiophene 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: z coordinate of C8 should be 0.6746, not 0.5646; y coordinate
of H2 should be 0.146, not 0.246
REFCODE: CAPTOC01
Authors/Journal
Authors: F.Bertinelli, P.C.Bizzarri, C.D.Casa, A.Marchesini, G.Pelizzi,
R.Zamboni, C.Taliani
Chemical
Name: Dithieno(3,2-b;2',3'-d)thiophene 7,7,8,8-
Synonym:
Source:
Colour: blue violet
Extra Information:
Experimental
R-Factor (%): 3.48
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Y-coord. of C1 reported as 0.1667 should read 0.4667. Z-coord.
of C5 reported as 0.5631 should read 0.5361
REFCODE: CARWUP02
Authors/Journal
Authors: M.Verot, N.Brefuel, J.Pecaut, C.Train, V.Robert
Chemical
Formula: C9 H10 N5 S1,C6 H6 O2
Name: 2,4-Dimethyl-6-(pyridin-2-yl)-3-thioxo-3,4-dihydro-1,2,4,5-
tetrazin-1(2H)-yl radical benzene-1,4-diol
Synonym: 1,5-Dimethyl-3-(2-pyridyl)-6-thiooxoverdazyl radical
hydroquinone
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 9.98
Temperature: 303
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CASLUD
Authors/Journal
Authors: G.Weber
Chemical
Formula: C44 H48 K2 N2 O12 S2,2(C22 H24 K1 N1 O6 S1)
Name: bis((mu!2$-(18)(O!5$-(2,2')Benzophenono-2!4$-coronand-5)-
(isothiocyanato)-potassium)) isothiocyanato-(6,7,9,10,12,13,15,16-octahydro-22H-
dibenzo(n,q)(1,4,7,10,13)-pentaoxacyclo-octadien-22-one)-potassium
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CATJUE
Authors/Journal
Authors: Shouwen Jin, Qiong Dong, Daqi Wang, Wei Zhou
Chemical
Name: 1,1'-Binaphthalene-2,2'-diol 4-phenyl-1,3-thiazol-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.96
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CATKAL
Authors/Journal
Chemical
Name: 1,1'-Binaphthalene-2,2'-diol 1,1'-butane-1,4-diylbis-1H-
imidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.15
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CATKEP
Authors/Journal
Chemical
Name: 1,1'-Binaphthalene-2,2'-diol 1,1'-propane-1,3-diylbis-1H-
benzimidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.55
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CATKIT
Authors/Journal
Chemical
Formula: C18 H18 N4,2(C20 H14 O2)
Name: 1,1'-Binaphthalene-2,2'-diol 1,1'-butane-1,4-diylbis-1H-
benzimidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CATKUF
Authors/Journal
Chemical
Formula: C20 H14 O2,2(C10 H11 N3)
Name: 1,1'-Binaphthalene-2,2'-diol 5,7-dimethyl-1,8-naphthyridin-2-
amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CATNES
Authors/Journal
Authors: S.J.Makowski, M.Lacher, C.Lermer, W.Schnick
Chemical
Formula: C18 H12 N6,1.33(C3 H6 N6)
Name: 1,3,5-Triazine-2,4,6-triamine 2,4,6-tris(pyridin-2-yl)-1,3,5-
triazine
Synonym: tris(2-pyridyl)-triazine melamine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAVYED
Authors/Journal
Chemical
Name: 2,5-Dichloro-3,6-dihydroxy-p-benzoquinone bis(pyrimidine)
Synonym:
Source:
Melting Point:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAVYIH
Authors/Journal
Chemical
Name: 2,5-Dichloro-3,6,-dihydroxy-p-benzoquinone bis(pyrazine)
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAWNET
Authors/Journal
Authors: W.Jones, C.R.Theocharis, J.M.Thomas, G.R.Desiraju
Chemical
Formula: 0.7(C20 H19 Br1 O1),0.3(C19 H16 Br1 Cl1 O1)
Name: 2-(p-Methylbenzyl)-5-(p-bromobenzylidene)-cyclopentanone 2-(p-
chlorobenzyl)-5-(p-bromobenzylidene)-cyclopentanone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.18
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAWPEV10
Authors/Journal
Authors: Xu Xiaojie, Hua Ziqian, Zhou Gongdu, Tang Youqi
Journal: Zhongguo Kexue,B Ji:Huaxue(Chin.)(Sci.China,Ser.B) , , 494,
1985
Chemical
Name: 17-Acetoxy-2,5,10,14,18,18-hexamethyl-8-isopropyl-
pentacyclo(11.8.0.0$2,10!.0$5,9!.0$14,19!)henicos-1(13)-ene 17-acetoxy-
2,5,10,14,18,18-hexamethyl-8-isopropyl-pentacyclo(11.8.0.0$2,10!.0$5,9!.0$14,19!)-
henicos-12-ene
Synonym: 3-Acetoxy-8-dimethyl-13-methyl-20,29-dihydro-lup-8-ene 3-
acetoxy-8-dimethyl-13-methyl-20,29-dihydro-lup-9(11)-ene
Source: Tylcphora Kerrii crab
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x (C112) should be 0.0746 not 0.7464. x (C117) should be
0.0732, not 0.7323. y (C212) should be 0.1526, not 0.1626
REFCODE: CAXBAF
Authors/Journal
Authors: K.Kanoh, Y.Matsuo, K.Adachi, H.Imagawa, M.Nishizawa, Y.Shizuri
Journal: J.Antibiot. , 58, 289, 2005
Chemical
Formula: C35 H32 N8 O7 S1,C1 H3 Na1 O1
Name: Mechercharmycin A methoxy-sodium
Synonym: PEPSEQ C=3 ILE-VAL,UND,
Source: marine-derived Thermoactinomyces sp. YM3-251
Colour: colorless
Extra Information: Mechercharmycin A exhibits antitumour activity
Experimental
R-Factor (%): 4.95
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAXFIQ
Authors/Journal
Authors: P.S.Anderson, J.J.Baldwin, D.E.McClure, G.F.Lundell,
J.H.Jones, W.C.Randall, G.E.Martin, M.Williams, J.M.Hirshfield, B.V.Clineschmidt,
P.K.Lumma, D.C.Remy
Journal: J.Med.Chem. , 26, 363, 1983
Chemical
Name: (R,R)-(-)-4,6,6a,8,9,10a-Hexahydro-7-ethyl-7H-indolo(3,4-gh)
(1,4)benzoxazine bis(p-toluoyl)-l-tartaric acid
Synonym: (-)-trans-6-Ethyl-9-oxa-ergoline bis(p-toluoyl)-l-tartaric
acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: dx given as 1.244; we calculate 1.27
REFCODE: CAXNOE
Authors/Journal
Authors: Zhi Min Jin, Yuan Jiang Pan, Duan Jun Xu, Yuan Zhi Xu
Journal: Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. , 56, e69, 2000
Chemical
Name: 4-Nitrophenol 4-methylpyridine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CAZLAR
Authors/Journal
Authors: P.Garcia, S.Dahaoui, P.Fertey, E.Wenger, C.Lecomte
Chemical
Formula: C6 H4 S4,C6 Br4 O2
Name: 1,1',3,3'-Tetrathiafulvalene 2,3,5,6-tetrabromo-p-benzoquinone
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CBZTNB
Authors/Journal
Authors: F.Bechtel, D.Chasseau, J.Gaultier
Chemical
Name: Carbazole-trinitrobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CEBPIL
Authors/Journal
Authors: Yao-Jia Li, Yang-Hui Luo, Jing-Wen Wang, Chen Chen, Bai-Wang
Sun
Chemical
Name: hexanedioic acid 1H-1,2,4-triazol-5-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEBWEL
Authors/Journal
Authors: R.P.Shibaeva, V.K.Kaminskii, E.E.Kostyuchenko, E.B.Yagubskii
Chemical
Name: 5,5',12,12'-bis(Triseleno)-bis(naphthacene-6,11-quinone)
benzonitrile complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: dx and fw reported as 1.72 and 931.49 respectively; we
calculate 2.00 and 1089.41
REFCODE: CECPEF
Authors/Journal
Authors: J.M.A.Robinson, D.Philp, B.M.Kariuki, K.D.M.Harris
Chemical
Name: 1,4-Dinitrobenzene 1,4-diethynylbenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CECZAL
Authors/Journal
Authors: S.Pohl
Chemical
Formula: C10 H8 N2,3(I2)
Name: 2,2'-Bipyridine tris(di-iodide)
Synonym:
Source:
Colour: red-brown
Extra Information:
Experimental
R-Factor (%): 10.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CEFMIL
Authors/Journal
Authors: Jin-Liang Wang, Wei-Fa Yu
Chemical
Name: 7-Methyl-N-(2-phenylethyl)-2-propyl-1H-benzimidazole-5-
carboxamide 4-methyl-N-(2-phenylethyl)-2-propyl-1H-benzimidazole-6-carboxamide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEFZEU
Authors/Journal
Authors: S.B.Novakovic, G.A.Bogdanovic, S.K.Mohamed, M.R.Albayati,
A.S.Hameed
Chemical
Name: N'-(4-methoxybenzylidene)isonicotinohydrazide bis((1,3-dioxo-
1,3-dihydro-2H-isoindol-2-yl)acetic acid)
Synonym: PDB Chemical Component code: 51X
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEGNOR
Authors/Journal
Authors: H.B.Singh, W.R.McWhinnie, T.A.Hamor, R.H.Jones
Chemical
Formula: C10 H8 I2 N2 Te1,C10 H8 I2 N2
Name: 1,3-Dihydro-2,2-di-iodo-tellurolo(3,4-b)quinoxaline-2,3-
bis(iodomethyl)quinoxaline
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CEHCAV
Authors/Journal
Authors: Qi-Ming Qiu, Yu-Han Jiang, Xu Huang, Qiong-Hua Jin, Cun-Lin
Zhang
Chemical
Name: 5-Amino-2,4-dihydro-3H-1,2,4-triazole-3-thione 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEHGEB
Authors/Journal
Authors: W.H.Watson, J.Galloy, D.A.Grossie, F.Vogtle, W.M.Muller
Chemical
Name: 18-Crown-6 bis(formamide)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CEHGIF
Authors/Journal
Chemical
Name: 18-Crown-6 N-methylthiourea
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CEHGOL
Authors/Journal
Chemical
Formula: C12 H24 O6,2(C2 H4 N2 S2)
Name: 18-Crown-6 bis(dithio-oxamide)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: N10-H10a ie. N10-H101 changed from 1.10 to 1.01
REFCODE: CEHHEC
Authors/Journal
Chemical
Name: Diaza-18-crown-6 bis(2-guanidinobenzimidazole)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CEJTAM
Authors/Journal
Authors: Y.Yamaguchi, I.Ueda
Chemical
Name: 1,4-Dithiine-tetracarboxylic N,N'-dimethyldi-imide acridine
Synonym:
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x(O3A)=.7396, not .7369
REFCODE: CEJVIW
Authors/Journal
Authors: M.R.Caira, W.H.Watson, F.Vogtle, W.Muller
Chemical
Name: 1,4,7,10,13,16-Hexaoxacyclo-octadecane N,N'-diformohydrazide
Synonym: 18-Crown-6 N,N'-diformohydrazide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CEJXOE
Authors/Journal
Authors: K.K.Chacko, P.Narasimhan, W.Saenger
Chemical
Name: bis(2-(o-Methoxyphenoxy)ethyl) ether urea
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Cell length a should be 27.084 (not 26.084)
REFCODE: CEKBOJ
Authors/Journal
Authors: W.H.Watson, J.Galloy, F.Vogtle, W.M.Muller
Chemical
Name: 2,9-Dimethyl-1,10-phenanthroline resorcinol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CEKBUP
Authors/Journal
Authors: F.H.Herbstein, G.M.Reisner
Chemical
Name: Pyrene 1,4,5,8-naphthalenetetrone
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CEKYUM
Authors/Journal
Authors: L.I.Foss, A.Syed, E.D.Stevens, C.L.Klein
Chemical
Name: Naphthalene perfluorobiphenyl
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CEMCEF
Authors/Journal
Authors: F.A.El-Samahy, H.A.A.El Salam, N.F.El-Sayed, E.M.Shalaby,
M.F.Dondeti
Chemical
Name: 3,3'-[(4-methoxyphenyl)methylene]bis(4-hydroxy-2H-1-
benzopyran-2-one) morpholine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEMGOT
Authors/Journal
Authors: K.Kopczynska, P.H.Marek, B.Banas, I.D.Madura
Chemical
Formula: C6 H4 B1 F3 O2,C1 H4 N2 O1
Name: 3,4,5-trifluorophenylboronic acid urea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.41
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CENLIT
Authors/Journal
Authors: P.Bora, B.Saikia, B.Sarma
Chemical
Formula: 3(C13 H9 N1),C7 H6 O4
Name: tris(acridine) 3,5-dihydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 8.53
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEQREY
Authors/Journal
Authors: B.A.Trofimov, K.V.Belyaeva, L.P.Nikitina, A.V.Afonin,
A.V.Vashchenko, V.M.Muzalevskiy, V.G.Nenajdenko
Chemical
Formula: C19 H13 Br1 F3 N1 O2,C9 H6 Br1 N1
Name: 5-bromo-1-phenyl-3-(trifluoromethyl)-3H,4aH-[1,3]oxazino[3,2-
a]quinolin-3-ol 3-bromoquinoline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CERXIH
Authors/Journal
Authors: P.Daka, K.A.Wheeler
Chemical
Name: bis(1,2-Dihydroxybenzene) hexamethylenetetramine
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CERZEF
Authors/Journal
Authors: De-Jun Xiong, Cui-Ping Han, Hai-Bing Li
Chemical
Name: Ethyl 6-oxo-1,6-dihydropyrimidine-5-carboxylate ethyl 4-oxo-
1,4-dihydropyrimidine-5-carboxylate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.27
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEVPOK
Authors/Journal
Authors: S.Bhattacharya, J.Stojakovic, B.K.Saha, L.R.MacGillivray
Chemical
Name: cyclobutane-1,2,3,4-tetracarboxylic acid bis((E)-1,2-
bis(pyridin-4-yl)ethene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.24
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEVPOK08
Authors/Journal
Authors: S.Bhattacharya, B.K.Saha
Chemical
Name: cyclobutane-1,2,3,4-tetracarboxylic acid bis((E)-1,2-
bis(pyridin-4-yl)ethene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.95
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEVQAX
Authors/Journal
Authors: S.Bhattacharya, J.Stojakovic, B.K.Saha, L.R.MacGillivray
Chemical
Name: Cyclobutane-1,2,3,4-tetracarboxylic acid 4,4',4'',4'''-
cyclobutane-1,2,3,4-tetrayltetrapyridine
Synonym: rctt-cyclobutane-1,2,3,4-tetracarboxylic acid rctt-tetrakis(4-
pyridyl)cyclobutane
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEWCUC10
Authors/Journal
Authors: M.C.Etter, R.D.Gillard, W.B.Gleason, J.K.Rasmussen,
R.W.Duerst, R.B.Johnson
Chemical
Formula: C18 H15 O1 P1,C10 H9 N1 O4 S1
Name: 5-Methyl-6-phenyl-1,2,3-oxathiazin-4(3H)-ol 2,2-dioxide
Synonym:
Source:
Melting Point: 126-127.5 deg.C
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CEWMIA
Authors/Journal
Chemical
Name: 2-Imidazolidinethione bis(di-iodine)
Synonym: Ethylenethiourea bis(di-iodine)
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Formula weight and calculated density given as 589.6 and
2.959; we calculate 608.63 and 3.33. b=9.170(6). Both values in the paper are wrong
REFCODE: CEWMOG
Authors/Journal
Chemical
Formula: 2(C3 H6 N2 S1),3(I2)
Name: bis(2-Imidazolidinethione) tris(di-iodine)
Synonym: bis(Ethylenethiourea) tris(di-iodine)
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Formula weight and calculated density given as 925.4 and
2.988; we calculate 965.74 and 3.13
REFCODE: CEWYOT
Authors/Journal
Authors: T.Wedel, J.Podlech
Journal: Synlett , 2006, 2043, 2006
Chemical
Formula: C6 H12 O3 S2,C5 H8 O2 S2
Name: 2-Ethylidene-1,3-dithiolane 1,3-dioxide 1-(1,3-dioxo-1,3-
dithiolan-2-yl)ethyl methyl ether
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEZFOF
Authors/Journal
Authors: Keyao Li, Xiangwen Ren, Shuqin Fu, Jiaping Zhu
Chemical
Name: dinitroethene-1,1-diamine 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.0
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CEZOMN
Authors/Journal
Authors: K.von Deuten, A.Knochel, J.Kopf, J.Oehler, G.Rudolph
Chemical
Name: N,N'-bis(2-Cyanoethyl)-1,10-diaza-4,7,13,16-tetraoxacyclo-
octadecane malononitrile
Synonym:
Source:
Melting Point: 333K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CHRFAN
Authors/Journal
Authors: P.J.Munnoch, J.D.Wright
Chemical
Formula: C18 H12,C6 F4 O2
Name: Chrysene-tetrafluoro-p-benzoquinone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CHRTCQ
Authors/Journal
Authors: P.J.Munnoch, J.D.Wright
Chemical
Name: Chrysene-7,7,8,8-tetracyanoquinodimethane complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CHXADI10
Authors/Journal
Authors: D.van der Helm
Journal: J.Cryst.Mol.Struct. , 3, 249, 1973
Chemical
Formula: C11 H15 N5,I2
Name: 9-Cyclohexyladenineiodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CIDDAV
Authors/Journal
Authors: G.J.Perpetuo, J.Janczak
Chemical
Name: 2,4,6-Triamino-1,3,5-triazine tris(1H-isoindole-1,3(2H)-dione)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.36
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIDRAL
Authors/Journal
Authors: T.Orlando, P.R.S.Salbego, G.C.Zimmer, A.B.Pagliari,
C.R.Bender, L.V.Rodrigues, H.G.Bonacorso, N.Zanatta, J.Berna, M.A.P.Martins
Journal: Eur.J.Org.Chem. , 2018, 4978, 2018
Chemical
Name: [2]-(N,N'-dibenzyl-N,N'-dibutylbutanediamide)-(3,11,18,26-
tetraazapentacyclo[26.2.2.2$13,16!.1$5,9!.1$20,24!]hexatriaconta-
1(30),5(36),6,8,13,15,20(33),21,23,28,31,34-dodecaene-4,10,19,25-tetrone)-rotaxane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.57
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIDREP01
Authors/Journal
Authors: T.Orlando, P.R.S.Salbego, C.L.R.Taschetto, H.G.Bonacorso,
N.Zanatta, M.Hoerner, M.A.P.Martins
Chemical
Name: [2]-(N$1!,N$4!-dibutyl-N$1!,N$4!-bis[(furan-2-
yl)methyl]butanediamide)-(3,11,18,26-
1(30),5(36),6,8,13,15,20(33),21,23,28,31,34-dodecaene-4,10,19,25-tetrone)-rotaxane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIDSEN
Authors/Journal
Authors: E.J.Valente, V.Schomaker
Chemical
Formula: 0.5(C14 H14 O4),0.5(C14 H14 O4)
Name: (2S,4R)-trans-2-Hydroxy-2,4-dimethyl-3,4-dihydro-2H,5H-
pyrano(3,2-c)(1)benzopyran-5-one (2R,4R)-cis-2-hydroxy-2,4-dimethyl-3,4-dihydro-
2H,5H-pyrano(3,2-c)(1)benzopyran-5-one
Synonym:
Source:
Melting Point: 404K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CIDZAQ
Authors/Journal
Authors: D.Barr, W.Clegg, R.E.Mulvey, R.Snaith
Chemical
Formula: 0.5(C34 H54 Li2 N10 O2 P2),0.5(C34 H54 Li2 N10 O2 P2)
Name: bis(mu!2$-Phenyl-2-pyridyl-amido-N,N,N')-
bis(hexamethylphosphoramide)-di-lithium bis(mu!2$-hexamethylphosphoramide-O)-
bis(phenyl-2-pyridylamido-N,N')-di-lithium
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.5
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CIFWUJ
Authors/Journal
Authors: L.Pasimeni, C.Corvaja, D.A.Clemente
Chemical
Name: Diphenylacetylene 1,2,4,5-tetracyanobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CIKKAK
Authors/Journal
Authors: G.Gilli, V.Bertolasi, P.Gilli
Chemical
Formula: C17 H14 N2 O1,0.5(C12 H4 N4)
Name: 1-(2-(4-Methylphenyl)diazen-2-ium-1-yl)naphthalen-2-olate
2,2'-cyclohexa-2,5-diene-1,4-diylidenedimalononitrile
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.24
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIKKUE
Authors/Journal
Chemical
Name: 1-(2-(1-Naphthyl)diazen-2-ium-1-yl)naphthalen-2-olate 2,2'-
cyclohexa-2,5-diene-1,4-diylidenedimalononitrile
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.74
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIKLEP
Authors/Journal
Chemical
Formula: C16 H11 Cl1 N2 O1,0.5(C12 H4 N4)
Name: 1-(2-(4-Chlorophenyl)diazen-2-ium-1-yl)naphthalen-2-olate
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.33
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIKLOZ
Authors/Journal
Chemical
Formula: C16 H11 F1 N2 O1,0.5(C12 H4 N4)
Name: 1-(2-(4-Fluorophenyl)diazen-2-ium-1-yl)naphthalen-2-olate
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.24
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIKPIY
Authors/Journal
Authors: M.R.Shimpi, A.Alhayali, K.L.Cavanagh, N.Rodriguez-Hornedo,
S.P.Velaga
Chemical
Name: 6-(2H-1,3-benzodioxol-5-yl)-2-methyl-2,3,6,7,12,12a-
hexahydropyrazino[1',2':1,6]pyrido[3,4-b]indole-1,4-dione propanedioic acid
Synonym: Tadalafil malonic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIKRAP
Authors/Journal
Authors: A.O.Patil, S.R.Wilson, D.Y.Curtin, I.C.Paul
Chemical
Name: bis(2,5-Dimethyl-1,4-benzoquinone) 2,5-dimethyl-1,4-
dihydroxybenzene
Synonym:
Source:
Colour: black red
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CIMCIK
Authors/Journal
Authors: C.P.Brock, K.L.Haller
Chemical
Name: tris(4,4'-Dinitrobiphenyl) 4-hydroxybiphenyl
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CIMMOD
Authors/Journal
Authors: S.Shalini, S.Shahil Kirupavathy, E.Jerusha, G.Vinitha
Journal: J.Mater Sci: Mater Electron. , 29, 21145, 2018
Chemical
Name: 4-chlorophenol N,N-dimethylpyridin-4-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIPHAL
Authors/Journal
Authors: S.Wishkerman, J.Bernstein, M.B.Hickey
Chemical
Name: Nicotinamide benzo-[18]crown-6
Synonym:
Source:
Melting Point: 82.0-85.0deg.C
Colour:
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIRNEY01
Authors/Journal
Authors: V.G.Saraswatula, M.A.Bhat, P.K.Gurunathan, B.K.Saha
Chemical
Name: 4,4'-bipyridine 1-oxide 4-hydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.16
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIRWEG
Authors/Journal
Authors: R.Thomas, G.U.Kulkarni
Chemical
Name: Pyromellitic acid 1,4-dihydroxybenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.47
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes: Study temperature given as 298 K and 130 K in the cif
REFCODE: CIRXIL
Authors/Journal
Authors: I.Matulkova, I.Nemec, K.Teubner, P.Nemec, Z.Micka
Chemical
Name: bis(4-Amino-1,2,4-triazole) adipic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CISCOW
Authors/Journal
Authors: A.O.Patil, D.Y.Curtin, I.C.Paul
Chemical
Formula: C8 H8 O2,2(C6 H6 O2)
Name: 2,5-Dimethylbenzoquinone bis(hydroquinone)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CISKIY
Authors/Journal
Authors: J.H.Clark, M.Green, R.Madden, C.D.Reynolds, Z.Dauter,
J.M.Miller, T.Jones
Chemical
Formula: C2 H7 O4 P1,C3 H4 N2
Name: Imidazole dimethylphosphate
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CITSAZ10
Authors/Journal
Authors: M.Czugler, J.G.Angyan, G.Naray-Szabo, E.Weber
Chemical
Name: Imidazole 1,1'-binaphthyl-2,2'-dicarboxylic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CIVMIG
Authors/Journal
Authors: E.E.Stepanova, P.A.Slepukhin, R.R.Makhmudov, M.V.Dmitriev,
A.N.Maslivets
Chemical
Formula: C26 H16 Br1 N1 O5,C8 H10
Name: 8-(4-bromophenyl)-10-phenyl-10,11-dihydro-12H-
pyrano[4',3':2,3]pyrrolo[2,1-c][1,4]benzoxazine-6,7,12-trione 1,4-dimethylbenzene
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIWDAO
Authors/Journal
Authors: M.Akkurt, S.O.Yildirim, N.Sireci, H.Kucukbay, O.Buyukgungor
Chemical
Formula: C7 H6 O2 S1,0.5(C6 H8 N2)
Name: (2E)-3-(2-Thienyl)acrylic acid hemikis(benzene-1,2-diamine)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIWHAT
Authors/Journal
Authors: C.B.Aakeroy, S.Forbes, J.Desper
Chemical
Name: N,N'-Hexane-1,6-diyldinicotinamide octanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.63
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIXBUI
Authors/Journal
Authors: Shouwen Jin, Jing Zhang, Daqi Wang, Lin Tao, Mengjian Zhou,
Yinyan Shen, Quan Chen, Zhanghui Lin, Xingjun Gao
Chemical
Formula: C10 H18 O4,2(C7 H5 Br1 N2 S1)
Name: decanedioic acid 6-bromo-1,3-benzothiazol-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIXMED
Authors/Journal
Authors: Shouwen Jin, Jing Zhang, Daqi Wang, Lin Tao, Mengjian Zhou,
Yinyan Shen, Quan Chen, Zhanghui Lin, Xingjun Gao
Chemical
Formula: C7 H5 Br1 N2 S1,C7 H6 O3
Name: 2-hydroxybenzoic acid 6-bromo-1,3-benzothiazol-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.22
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIXNAA
Authors/Journal
Chemical
Name: 3-nitrobenzoic acid 1,1'-methylenebis-1H-benzimidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.47
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIXNII
Authors/Journal
Chemical
Name: bis(4-nitrobenzoic acid) 1,1'-butane-1,4-diylbis-1H-
benzimidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.87
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CIZLUV
Authors/Journal
Authors: E.Lucenti, A.Forni, C.Botta, C.Giannini, D.Malpicci,
D.Marinotto, A.Previtali, S.Righetto, E.Cariati
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-di-iodobenzene tri-imidazo[1,2-
a:1',2'-c:1'',2''-e][1,3,5]triazine
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.63
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CLAHMB
Authors/Journal
Authors: N.D.Jones, R.E.Marsh
Chemical
Formula: C6 Cl4 O2,C12 H18
Name: Chloranil-hexamethylbenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 14.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes: refinement of data of Harding,Wallwork, Acta Cryst.,8,787,1955
REFCODE: CLQUIC
Authors/Journal
Authors: G.Bernardinelli, R.Gerdil
1906, 1976
Chemical
Formula: C9 H6 Cl1 N1,Cl1 I1
Name: 2-Chloroquinoline iodomonochloride
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CMHMBZ
Authors/Journal
Authors: R.H.Colton, D.E.Henn
Journal: J.Chem.Soc.B , , 1532, 1970
Chemical
Name: 7,7,8,8-Tetracyanoquinodimethane hexamethylbenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 14.0
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: COBBAW
Authors/Journal
Authors: Z.Urbanczyk-Lipkowska, J.W.Krajewski, P.Gluzinski, L.Kozerski,
G.D.Andreetti, G.Bocelli
Chemical
Formula: C19 H21 N1 O5,C3 D6 O1
Name: cis-3-(2,5-Dihydroxyphenyl)-5-hydroxy-3-methyl-2-(N-
methylpropionamido)-2,3-dihydrobenzo(b)furan hexadeutero-acetone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: COFBUU10
Authors/Journal
Authors: V.Langer, K.Huml, J.Zachova
Chemical
Name: Adenine bis(N-methyl-2-pyrrolidone)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: COFCEF10
Authors/Journal
Authors: R.M.Fuquen, R.H.De A.Santos, J.R.Lechat
Chemical
Name: 4-Nitropyridine N-oxide 4-aminobenzoic acid
Synonym:
Source:
Melting Point:
Colour: red-orange
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: COGCUZ
Authors/Journal
Authors: S.Selyani, M.Dincer
Journal: Mol.Cryst.Liq.Cryst. , 666, 65, 2018
Chemical
Name: but-2-enedioic acid bis(ethyl pyridine-2-carboxylate)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.56
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COGKOA
Authors/Journal
Authors: K.Mohana Priyadarshini, A.Chandramohan, G.Anandha Babu,
P.Ramasamy
Journal: Solid State Sciences , 28, 95, 2014
Chemical
Name: 4-Hydroxypyrrolidinium-2-carboxylate 2,3-dihydroxysuccinate
Synonym: 4-Hydroxy-L-proline L-tartaric acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COGREV
Authors/Journal
Authors: J.Zukerman-Schpector, E.E.Castellano, G.Oliva, A.C.Massabni,
A.D.Pinto
Chemical
Name: bis(l-Phenyl-3,5-dimethylpyrazole) oxalic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Y(C11) should be 0.2751 not 0.2571
REFCODE: COHFEM
Authors/Journal
Authors: J.Beck, J.Daniels, P.Krieger-Beck, G.Dittmann, A.B.de Oliveira
Chemical
Formula: C11 H13 N3 S1,0.5(C8 N6)
Name: 2-(3,4-Dihydronaphthalen-1(2H)-ylidene)hydrazinecarbothioamide
hemikis(pyrazine-2,3,5,6-tetracarbonitrile)
Synonym: 2-(1,2,3,4-Tetrahydronaphthalen-1-
ylidene)hydrazinecarbothioamide hemikis(tetracyanopyrazine)
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COHWIF
Authors/Journal
Authors: T.C.W.Mak, W.-H.Yip, L.Book
Journal: J.Crystallogr.Spectrosc.Res. , 14, 457, 1984
Chemical
Name: Triethylenediamine hydroquinone
Synonym:
Source:
Melting Point: 265deg.C.(dec.)
Colour:
Extra Information:
Experimental
R-Factor (%): 9.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: COHWIF02
Authors/Journal
Authors: Heng-Yun Ye, Jia-Zhen Ge, Fang Chen, Ren-Gen Xiong
Chemical
Name: Benzene-1,4-diol 1,4-diazabicyclo[2.2.2]octane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.22
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COHWOL
Authors/Journal
Authors: T.C.W.Mak, W.-H.Yip, L.Book
Chemical
Name: Triethylenediamine bis(phenol)
Synonym:
Source:
Melting Point: 116.7deg.C
Colour:
Extra Information:
Experimental
R-Factor (%): 9.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: COHZUU
Authors/Journal
Authors: B.L.Allwood, H.Shahriari-Zavareh, J.F.Stoddart, D.J.Williams
Chemical
Formula: C36 H40 O6,2(H6 B1 N1)
Name: 2,3,11,12-Tetraphenyl-1,4,7,10,13,16-hexaoxacyclo-octadecane
bis(ammonia-borane)
Synonym: 2,3,11,12-Tetraphenyl-18-crown-6 bis(ammonia-borane)
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: COKNIC
Authors/Journal
Authors: Zhuoer Wang, Qiuhong Cheng, Pengyao Xing, Zhaozhen Cao, Aiyou
Hao
Journal: Soft Matter , 15, 6596, 2019
Chemical
Name: bis(N-{[(9H-fluoren-9-yl)methoxy]carbonyl}glycine) 4,4'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.23
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COMHIV
Authors/Journal
Authors: C.Cohen-Addad, M.Lebars, A.Renault, P.Baret
Chemical
Formula: C24 H24,C6 N4
Name: Tetracyclo(14.2.2$4,7!.2$10,13!)tetracosa-
4,6,10,12,16,18,19,21,23-nonaene ethenetetracarbonitrile
Synonym: (2.2.2)Paracyclophane tetracyanoethylene
Source:
Melting Point:
Colour: bright orange
Extra Information:
Experimental
R-Factor (%): 8.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: COMHOB
Authors/Journal
Authors: C.Cohen-Addad, M.Lebars, A.Renault, P.Baret
Chemical
Name: Pentacyclo(20.2.2$4,7!.2$10,13!.2$16,19!)dotriaconta-
4,6,10,12,16,18,22,24,25,27,29,31-dodecaene ethenetetracarbonitrile
Synonym: (2.2.2.2)Paracyclophane tetracyanoethylene complex
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CONPAW
Authors/Journal
Authors: F.Toda, K.Tanaka, T.C.W.Mak
Journal: Chem.Lett. , , 2085, 1984
Chemical
Formula: C20 H14 O2,C8 H10 O1 S1
Name: (R)-(+)-bis-beta-Naphthol (R)-(+)-methyl m-tolyl-sulfoxide
Synonym:
Source:
Colour: colorless
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CONWOT
Authors/Journal
Authors: T.Takaiwa, A.Koyama, Y.Nagaishi, K.Nakajima, M.Sumimoto, Kenji
Hori, S.Matsuzaki, H.Fujimoto
Chemical
Formula: C10 H16 N2,C6 Br4 O2
Name: 2,3,5,6-Tetrabromo-1,4-benzoquinone 2,3,5,6-
tetramethylbenzene-1,4-diamine
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.95
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CONZEK01
Authors/Journal
Authors: N.Srinivasan, B.Sridhar, R.K.Rajaram
Chemical
Formula: 2(C9 H11 N1 O2),H1 N1 O3
Name: bis(L-Phenylalanine) nitric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COSKUT
Authors/Journal
Authors: B.Yadav, A.Gunnam, R.Thipparaboina, A.K.Nangia, N.R.Shastri
Chemical
Name: 4-hydroxy-3,5-dimethoxybenzoic acid pyridine-4-carbohydrazide
Synonym: isoniazid syringic acid
Source:
Colour: colorless
Extra Information: isonazid is one of the first line drugs used in combination
with pyrazinamide and rifampicin in the management of tuberculosis
Experimental
R-Factor (%): 7.58
Temperature: 296
Intensity Meas: 3
Disorder:
Extra Information: twin; 296.1 K
CCDC Notes:
REFCODE: COSZOB
Authors/Journal
Authors: Anup Bhunia, Tony Roy, R.G.Gonnade, A.T.Biju
Chemical
Formula: C35 H30 N1 O2 P1,0.5(C5 H8 O1)
Name: 1',5,6-trimethyl-1,1,1-triphenyl-1H-spiro[2,1-
benzoxaphosphole-3,3'-indol]-2'(1'H)-one hemikis(cyclopentanone)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.92
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COTJAX
Authors/Journal
Authors: G.Reck, B.Schultz
Chemical
Formula: C23 H19 N3 O1 S1,C23 H19 N3 O1 S1
Name: 2-(3-(4-Methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-
1,3-benzothiazole 2-(5-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-1,3-
benzothiazole
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COVVUH
Authors/Journal
Authors: Jing Wang, Shitong Zhang, Shuping Xu, Aisen Li, Bao Li, Ling
Ye, Yijia Geng, Yu Tian, Weiqing Xu
Journal: Adv. Opt. Mater. , 8, 1901280, 2019
Chemical
Formula: 4(C15 H10 O2),5(C10 H2 N4)
Name: tetrakis(anthracene-9-carboxylic acid) pentakis(benzene-
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.91
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COWJOO
Authors/Journal
Authors: C.B.Aakeroy, N.C.Schultheiss, A.Rajbanshi, J.Desper, C.Moore
Chemical
Formula: C13 H12 N4 O1,C7 H5 I1 O2
Name: 1-(2-Amino-4-methylpyrimidin-6-yl)-2-(3-methoxypyridin-5-
yl)ethyne 4-iodobenzoic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.45
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: Temperature of study given as 293K in the crystallographic
data table and the cif and -120deg.C in the X-ray crystallography section of the
paper. The former temperature has been used
REFCODE: COWQOX01
Authors/Journal
Authors: S.Horiuchi, Shoji Ishibashi, K.Kobayashi, R.Kumai
Chemical
Formula: C10 H8 N2,C6 H2 I2 O4
Name: 2,2'-bipyridine 2,5-dihydroxy-3,6-diiodocyclohexa-2,5-diene-
1,4-dione
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 2.8
Temperature: 296
Intensity Meas: 3
Disorder:
Extra Information: synchrotron; 296 K
CCDC Notes:
REFCODE: COWQOX02
Authors/Journal
Chemical
Name: 2,5-dihydroxy-3,6-diiodocyclohexa-2,5-diene-1,4-dione 2,2'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 2.66
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COWQOX03
Authors/Journal
Chemical
bipyridine
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 2.74
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COWSIT
Authors/Journal
Chemical
bipyridine
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.03
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COWTAK
Authors/Journal
Authors: P.M.Bhatt, Y.Azim, T.S.Thakur, G.R.Desiraju
Chemical
Name: 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)-2(1H)-
pyrimidinone 4(1H)-quinolinone
Synonym: Lamivudine 4-quinolinone
Source:
Melting Point:
Colour: light brown
Extra Information: absolute configuration; Lamivudine is an anti-HIV drug
Experimental
R-Factor (%): 7.74
Temperature: 298
Intensity Meas: 3
Disorder:
Extra Information: absolute configuration; at 298 K
CCDC Notes:
REFCODE: COYSOY
Authors/Journal
Authors: H.Nakai, M.Shiro, T.Tozyo, H.Ishii, Zhen-Wen Xu
Chemical
Name: D:C-Friedolup-8-en-3beta-ol acetate D:C-friedolup-9(11)-en-
3beta-ol acetate complex
Synonym: Tylolupenol A acetate tylolupenol B acetate complex
Source: Tylophora kerrii Craib.roots
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: COYTOZ
Authors/Journal
Authors: F.Durant, B.Norberg, F.Bufkens, G.Evrard
Chemical
Formula: C18 H19 Cl1 N2 O3,C1 H4 O3 S1
Name: (4R*)-3-(4-((3-Chlorophenyl)methoxy)phenyl)-5-
(methylaminomethyl)-1,3-oxazolidin-2-one methanesulfonic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information: monoamine oxidase inhibiting agent
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: COZXUL
Authors/Journal
Authors: D.R.Weyna, T.Shattock, P.Vishweshwar, M.J.Zaworotko
Chemical
Name: Benzoic acid 4,4'-bipyridine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.38
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COZYEW
Authors/Journal
Chemical
Name: Glutaric acid 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.44
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes: The cell data for structures 5 and 6 has been transposed in
the paper
REFCODE: COZYEW01
Authors/Journal
Authors: D.Braga, E.Dichiarante, G.Palladino, F.Grepioni,
M.R.Chierotti, R.Gobetto, L.Pellegrino
Chemical
Name: Pentanedioic acid 4,4'-ethane-1,2-diyldipyridine
Synonym: glutaric acid 4,4'-ethane-1,2-diyldipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COZYIA01
Authors/Journal
Authors: K.Tsaggeos, N.Masiera, A.Niwicka, V.Dokorou, M.G.Siskos,
S.Skoulika, A.Michaelides
Chemical
Name: Pentanedioic acid 4,4'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COZYUM
Authors/Journal
Chemical
Name: Isophthalic acid 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.14
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: COZZAT
Authors/Journal
Chemical
Name: bis(1-Naphthol) 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CRBAMP10
Authors/Journal
Authors: W.Wolfram, E.G.Arutyunyan, A.S.Antsyshkina, M.A.Porai-Koshits
Journal: Bull.Acad.Pol.Sci.,Ser.Sci.Chim. , 15, 83, 1967
Chemical
Formula: C1 H4 N2 O1,H3 O4 P1
Name: Urea phosphoric acid
Synonym: Carbamide phosphate
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 18.2
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes: THE X-COORDINATE OF N1 SHOULD BE 0.453 NOT 0.483
REFCODE: CRBAMP29
Authors/Journal
Authors: A.Parkin, S.M.Harte, A.E.Goeta, C.C.Wilson
Chemical
Name: Urea phosphoric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.25
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes: Authors report two almost symmetric hydrogen bonds, with O-H
bond lengths of 1.219 A and 1.214 A
REFCODE: CSATBR
Authors/Journal
Authors: E.Shefter, T.F.Brennan, P.Sackman
Journal: Chem.Pharm.Bull. , 19, 746, 1971
Chemical
Formula: 2(C7 H5 Cl1 O3),C7 H8 N4 O2
Name: 5-Chlorosalicylic acid-theobromine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CSATEO
Authors/Journal
Authors: E.Shefter
Chemical
Formula: C7 H5 Cl1 O3,C7 H8 N4 O2
Name: 5-Chlorosalicylic acid-theophylline complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The compound contains a mixture of 5-chloro-, 3,5-dichloro-
and 3-chlorosalicylic acid. Occupancies are 0.95 for Cl5 and 0.15 for Cl3. The Cl3
compound has been ignored. Y-COORDINATE OF C40 SHOULD BE 0.05898 RATHER THAN 0.5898
REFCODE: CUBKER
Authors/Journal
Authors: M.Colaco, Jean Dubois, J.Wouters
Chemical
Name: 4-nitrophthalic acid 4-methylaniline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUCKIU
Authors/Journal
Authors: T.Harayama, Y.Tezuka, T.Taga, F.Yoneda
Chemical
Formula: C17 H14 N4 O3,C2 D6 O1 S1
Name: 1-Methyl-2,5-dioxo-1,3-diazolidine-4-spiro-2'-(3'-oxo-4'-
phenyl-1',2',3',4'-tetrahydroquinoxaline) perdeutero-dimethylsulfoxide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CUCKIU10
Authors/Journal
Authors: T.Harayama, Y.Tezuka, T.Taga, F.Yoneda
Chemical
Formula: C17 H14 N4 O3,C2 D6 O1 S1
Name: 1-Methyl-4'-phenylspiro-(imidazole-4,2'(1'H)-3',4'-
dihydroquinoxaline)-2,3',5-trione hexadeutero-dimethylsulfoxide
Synonym:
Source:
Melting Point: above 298deg.C
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CUDCEM
Authors/Journal
Authors: I.Budziak, M.Arczewska, D.M.Kaminski
Chemical
Formula: C21 H22 O5,0.5(C5 H7 N1 O2)
Name: 1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-
(4-hydroxyphenyl)prop-2-en-1-one hemiskis(piperidine-2,6-dion)
Synonym: Xanthohumol hemikis(glutamide)
Source:
Melting Point: above 400 K
Extra Information: absolute configuration; By evaporation; Fragile,Oxygen-
sensitive
Experimental
R-Factor (%): 3.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUDCIQ
Authors/Journal
Authors: I.Budziak, M.Arczewska, D.M.Kaminski
Chemical
Formula: 2(C21 H22 O5),C2 H5 N1 O1
Name: 1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-
(4-hydroxyphenyl)prop-2-en-1-one hemikis(acetamide)
Synonym: Xanthohumol hemikis(acetamide)
Source:
Colour: black-yellow
Extra Information: Oxygen-sensitive
Experimental
R-Factor (%): 4.97
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUDQUP
Authors/Journal
Authors: Dong Hong, Yan Li, Shunguan Zhu, Lin Zhang, Congcong Pang
Journal: Central European Journal of Energetic Materials , 2, 47, 2015
Chemical
Name: 1-nitronaphthalene picric acid
Synonym: 2,4,6-trinitrophenol 1-nitronaphthalene
Source:
Melting Point: 67 deg.C
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 15.74
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUGBIS
Authors/Journal
Authors: K.Bera, N.Ayyagari, N.Satam, I.N.N.Namboothiri
Journal: Org.Biomol.Chem. , 18, 140, 2020
Chemical
Name: dipropan-2-yl 1-[3-(4-methoxyphenyl)-6,6-dimethyl-4-oxo-
2,3,4,5,6,7-hexahydro-1-benzofuran-2-yl]hydrazine-1,2-dicarboxylate propan-2-yl [3-
(4-methoxyphenyl)-6,6-dimethyl-4-oxo-2,3,4,5,6,7-hexahydro-1-benzofuran-2-yl]
({[(propan-2-yl)oxy]carbonyl}oxy)carbamate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUHDAK02
Authors/Journal
Authors: H.Ratajczak, A.Muller, H.Bogge, J.Baran, M.M.Ilczyszyn
Journal: Ferroelectrics , 177, 173, 1996
Chemical
Formula: C5 H11 N1 O2,D3 As1 O4
Name: Betaine trideuteroarsenate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.53
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CUKDOE01
Authors/Journal
Authors: Ming-Peng Zhuo, Guang-Peng He, Yi Yuan, Yi-Chen Tao, Guo-Qing
Wei, Xue-Dong Wang, Shuit-Tong Lee, Liang-Sheng Liao
Journal: CCS Chem. , 3, 413, 2021
Chemical
Formula: C22 H12,C8 F4 N2
Name: 2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile
benzo[ghi]perylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUKXIP
Authors/Journal
Authors: M.Weck, A.R.Dunn, K.Matsumoto, G.W.Coates, E.Lobkovsky,
R.H.Grubbs
Chemical
Name: Triphenylene perfluorotriphenylene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CUMLOO
Authors/Journal
Authors: Zhicun Feng, Yu Zhang, Jing Li, Yanan Li, Fengqi Zhao,
Kangzhen Xu
Journal: Propellants,Explos.,Pyrotech. , 44, 821, 2019
Chemical
Name: N$3!,N$4!-bis(2,4,6-trinitrophenyl)-1,2,5-oxadiazole-3,4-
diamine 1H-imidazole
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUMNEE
Authors/Journal
Authors: S.Roy, G.Mahata, K.Biradha
Chemical
Formula: C16 H10 O8,2(C12 H10 N2)
Name: Biphenyl-2,2',6,6'-tetracarboxylic acid bis(4,4'-ethene-1,2-
diyldipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.04
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUMQAC
Authors/Journal
Authors: M.R.Caira, L.R.Nassimbeni, F.Toda, D.Vujovic
Chemical
Name: 1,1,6,6-Tetraphenylhexa-2,4-diyne-1,6-diol bis(2,4-lutidine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.48
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CUMQEG
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.78
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CUMQIK
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.27
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CUMVIS
Authors/Journal
Authors: Changjin Ou, Yewei Zhang, Wei Ge, Liping Zhong, Yong Huang,
Weili Si, Wenjun Wang, Yongxiang Zhao, Xiaochen Dong
Chemical
Formula: C33 H27 B1 F2 N2 O4,C6 H11 N1 O1
Name: piperidine-1-carbaldehyde 4,4'-[(5,5-difluoro-1,9-dimethyl-10-
phenyl-5H-6lambda$5!,5lambda$5!-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinine-3,7-
diyl)bis(ethene-2,1-diyl)]bis(benzene-1,2-diol)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 9.91
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUNWUD
Authors/Journal
Authors: Jung-Si Lee, S.C.Nyburg
Chemical
Formula: C16 H10,2(C26 H16)
Name: bis(9,9'-Bifluorenylidene) pyrene
Synonym:
Source:
Melting Point:
Colour: wine-red
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: HA5 has been removed because of suspected error
REFCODE: CUNXAK
Authors/Journal
Authors: Jung-Si Lee, S.C.Nyburg
Chemical
Formula: C20 H12,2(C26 H16)
Name: bis(9,9'-Bifluorenylidene) perylene
Synonym:
Source:
Melting Point:
Colour: deep yellow
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CUSZIA01
Authors/Journal
Authors: Huahui Zeng, Jing Xiong, Zhuang Zhao, Jingyi Qiao, Duanjie Xu,
Mingsan Miao, Lan He, Xiangxiang Wu
Chemical
Name: 2,5-dihydroxybenzoic acid pregn-4-ene-3,20-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.02
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUVDON
Authors/Journal
Authors: Tu Lee, Pu Yun Wang
Chemical
Name: Malonic acid 4-aminopyrimidin-2(1H)-one
Synonym: cytosine malonic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.52
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUVDON01
Authors/Journal
Authors: S.R.Perumalla, V.R.Pedireddi, C.C.Sun
Chemical
Name: Malonic acid 4-aminopyrimidin-2(1H)-one
Synonym: cytosine malonic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 19.52
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUVDUT
Authors/Journal
Authors: Tu Lee, Pu Yun Wang
Chemical
Name: 4-Aminopyrimidin-2(1H)-one succinic acid
Synonym: cytosine succinic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.36
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUVDUT01
Authors/Journal
Chemical
Name: bis(Cytosine) succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUVSES
Authors/Journal
Authors: A.N.Sokolov, D.-K.Bucar, J.Baltrusaitis, S.X.Gu,
L.R.MacGillivray
Chemical
Formula: C24 H20 N4,2(C6 H4 Cl2 O2)
Name: bis(4,6-Dichlorobenzene-1,3-diol) 1,2,3,4-tetrakis(4-
pyridyl)cyclobutane
Synonym: bis(4,6-dichlororesorcinol) rctt-tetrakis(4-
pyridyl)cyclobutane
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.03
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUWPAO
Authors/Journal
Authors: M.V.Sosa-Rivadeneyra, P.Venkatesan, F.Flores-Manuel, S.Bernes,
H.Hopfl, M.Ceron, S.Thamotharan, M.Judith Percino
Chemical
Name: bis(2,5-dichloro-3,6-dihydroxycyclohexa-2,5-diene-1,4-dione)
1,4-dihydroquinoxaline-2,3-dione
Synonym: bis(2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone) 1,4-
dihydroquinoxaline-2,3-dione
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.51
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUWPOC
Authors/Journal
Chemical
bis(1,3-dihydro-2H-benzimidazol-2-one)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.64
Temperature: 295
Density (CCDC): 1.6
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUWPUI
Authors/Journal
Chemical
Name: bis(1,3-dihydro-2H-benzimidazol-2-one) 2,5-dihydroxycyclohexa-
2,5-diene-1,4-dione
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.98
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUWZAW
Authors/Journal
Authors: S.Marivel, D.Braga, F.Grepioni, G.I.Lampronti
Chemical
Name: Isophthalic acid 1,4-diazabicyclo[2.2.2]octane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUYXUQ
Authors/Journal
Authors: A.Lemmerer, J.Bernstein
Chemical
Name: bis(Nicotinamide) 2-hydroxypropane-1,2,3-tricarboxylic acid
Synonym: bis(Nicotinamide)(citric acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.28
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUYZAZ
Authors/Journal
Authors: Xu Li
Chemical
Name: 3,3'-Dihydroxy-6,6'-dimethyl-3,3'-dipropyl-[2,2'-bi-3H-
indenylidene]-1,1'-dione 3,3'-dihydroxy-7,7'-dimethyl-3,3'-dipropyl-[2,2'-bi-3H-
indenylidene]-1,1'-dione
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUZDAC
Authors/Journal
Authors: R.Moreno-Fuquen, E.V.Ribeiro de Castro, M.Moreno, R.H.De
Almeida Santos, A.M.Montano
Chemical
Name: 4-Nitrobenzoic acid 4-nitropyridine N-oxide
Synonym:
Source:
Melting Point: sublimes at 414 K
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CUZLUH
Authors/Journal
Authors: L.M.Durosinmi, O.A.Fadare, K.Sanusi, Y.Yilmaz, U.Ceylan,
C.A.Obafemi
Journal: Heliyon , 6, e05022, 2020
Chemical
Name: N-carbamothioylacetamide N,N'-carbonothioyldiacetamide
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CUZPIY
Authors/Journal
Authors: O.Sanchez-Guadarrama, F.Mendoza-Navarro, A.Cedillo-Cruz, Helgi
Jung-Cook, J.I.Arenas-Garcia, A.Delgado-Diaz, D.Herrera-Ruiz, H.Morales-Rojas,
H.Hopfl
Chemical
Name: 2-hydroxysuccinic acid 2-(cyclohexylcarbonyl)-1,2,3,6,7,11b-
hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [CUZPEU]
Experimental
R-Factor (%): 4.34
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CYBHMB
Authors/Journal
Authors: N.Niimura, Y.Ohashi, Y.Saito
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile hexamethylbenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 15.4
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: CYENAP
Authors/Journal
Authors: R.M.Williams, S.C.Wallwork
Chemical
Formula: C6 N4,C10 H8
Name: Tetracyanoethylene-naphthalene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 13.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DACSOQ
Authors/Journal
Authors: J.Guillon, J.-M.Leger, C.Dapremont, L.A.Denis, P.Sonnet,
S.Massip, C.Jarry
Journal: Supramol.Chem. , 16, 319, 2004
Chemical
Formula: C62 H64 Cs1 N3 O15,C62 H64 Cs1 N3 O15
Name: (5,17-Diphenyl-25-27-dipropoxy-26,28-(3,6,9,12-
tetraoxatetradecane-1,14-dioxy)calix(4)arene-O,O',O'',O''''')-(picrato-O)-cesium
(5,17-diphenyl-25-27-dipropoxy-26,28-(3,6,9,12-tetraoxatetradecane-1,14-
dioxy)calix(4)arene-O,O',O''',O'''',O''''')-(picrato-O,O')-cesium
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.83
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DADMED01
Authors/Journal
Authors: S.Ranjan, R.Devarapalli, S.Kundu, V.R.Vangala, Animesh Ghosh,
C.Malla Reddy
Chemical
Name: 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide
1,1-dioxide pyridine-2-carboxamide
Synonym: Hydrochlorothiazide picolinamide
Source:
Melting Point:
Colour: colorless
Extra Information: Hydrochlorothiazide (HCTZ/HCT) is a diuretic BCS class IV drug
Experimental
R-Factor (%): 5.72
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAFGID
Authors/Journal
Authors: T.A.Vaganova, Y.V.Gatilov, S.E.Malykhin, D.P.Pishchur,
Y.V.Larichev, V.I.Rodionov, E.V.Malykhin
Chemical
Formula: C7 H5 F5 N2,0.5(C12 H24 O6)
Name: 2-trifluoromethyl-4,6-difluoro-1,3-phenylenediamine
hemikis(18-crown-6)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.04
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAJYOE
Authors/Journal
Authors: J.Janczak
Chemical
Formula: C68 H40 Mg2 N16 O2,C40 H32 Mg1 N8 O4
Name: (mu!2$-1,4-Dioxane)-bis(29H,31H-phthalocyaninato)-di-magnesium
bis(1,4-dioxane)-(29H,31H-phthalocyaninato)-magnesium
Synonym:
Source:
Melting Point:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 5.62
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAJYUM
Authors/Journal
Chemical
Name: 2-hydroxypropane-1,2,3-tricarboxylic acid 2-
(cyclohexanecarbonyl)-1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Synonym: Praziquantel citric acid
Source:
Melting Point:
Colour: colorless
Extra Information: absolute configuration; Praziquantel (PRA) is the drug of
choice for treating and controlling schistosomiasis
Experimental
R-Factor (%): 3.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAJZEX
Authors/Journal
Chemical
Name: 3-hydroxybenzoic acid bis(2-(cyclohexanecarbonyl)-
1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one)
Synonym: bis(Praziquantel) 3-hydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAJZIB
Authors/Journal
Chemical
Name: benzene-1,2-dicarboxylic acid 2-(cyclohexanecarbonyl)-
1,2,3,6,7,11b-hexahydro-4H-pyrazino[2,1-a]isoquinolin-4-one
Synonym: Praziquantel benzene-1,2-dicarboxylic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 3.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DALPOX
Authors/Journal
Authors: K.S.Eccles, C.J.Elcoate, A.R.Maguire, S.E.Lawrence
Chemical
Name: o-Toluamide dibenzyl sulfoxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.31
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DALPUD
Authors/Journal
Authors: K.S.Eccles, C.J.Elcoate, A.R.Maguire, S.E.Lawrence
Chemical
Name: m-Toluamide dibenzyl sulfoxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAMQIT
Authors/Journal
Authors: N.K.Nath, S.S.Kumar, A.Nangia
Chemical
Name: 2-[(4-methylphenyl)amino]pyridinium-3-carboxylate 3-
nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAMSAM
Authors/Journal
Authors: Hai-Guang Zhang, Wen-Tao Yu, Lei Wang, Jia-Xiang Yang, Xu-Tang
Tao, Min-Hua Jiang
Chemical
Formula: C11 H4 Br2 N2 O1,C4 H1 Br2 N1 O2
Name: 2,7-Dibromo-4,5-diazafluoren-9-one 3,4-dibromomaleimide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DANLAG
Authors/Journal
Authors: I.N.Tarabara, A.O.Kas'yan, M.Yu.Yarovoi, S.V.Shishkina,
O.V.Shishkin, L.I.Kas'yan
Journal: Zh.Org.Khim.(Russ.)(Russ.J.Org.Chem.) , 40, 1033, 2004
Chemical
Name: 5-o-Nitrophenyl-3,4,5,10-tetra-
azatricyclo(5.5.1.0$2,6exo!.0$2,12endo!)tridec-3-en-9,11-dione 1H-isoindol-1-one
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.18
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes: The space group is P-1, not P1 as published
REFCODE: DANSEQ
Authors/Journal
Authors: R.Popovitz-Biro, C.P.Tang, H.C.Chang, M.Lahav, L.Leiserowitz
Chemical
Formula: C24 H40 O4,0.5(C6 H10 O1)
Name: Deoxycholic acid cyclohexanone
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: In published Atom Table C18 in molecule A occurs twice - first
occurrence relabelled C8; in molecule B, H18 occurs twice - second occurrence
relabelled H19'. Z for C7' should be 0.1960. X for H23' should be 0.495
REFCODE: DAQYUQ
Authors/Journal
Authors: J.R.Bowers, G.W.Hopkins, G.P.A.Yap, K.A.Wheeler
Chemical
Formula: C7 H7 N1 O2,0.5(C10 H8 N2)
Name: 4-Aminobenzoic acid hemikis(2,2'-bipyridine)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.73
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAQZAX
Authors/Journal
Chemical
Name: 4-Aminobenzoic acid hemikis(2,2'-bipyridine-N-oxide)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.34
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAQZEB
Authors/Journal
Chemical
Name: 4-Nitrobenzoic acid hemikis(2,2'-bipyridine)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.47
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAQZIF
Authors/Journal
Chemical
Name: 4-Nitrobenzoic acid hemikis(4,4'-bipyridine)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAQZIF01
Authors/Journal
Authors: Ting-Feng Tan, Jie Han, Mei-Li Pang, Hai-Bin Song, Yu-Xin Ma,
Ji-Ben Meng
Chemical
Name: p-Nitrobenzoic acid hemikis(4,4'-bipyridine)
Synonym:
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.42
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAQZUR
Authors/Journal
Chemical
Name: 4-Nitrobenzoic acid hemikis(4,4'-bipyridine-N,N'-dioxide)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.27
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DARGAH01
Authors/Journal
Authors: Ruonan Wang, Penghui Yuan, Dezhi Yang, Baoxi Zhang, Li Zhang,
Yang Lu, Guanhua Du
Chemical
Name: bis(4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzene-1-
sulfonamide) piperazine
Synonym: bis(sulfamethazine) piperazine
Source:
Melting Point: 237.11 deg.C
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DARGEL
Authors/Journal
Authors: V.Kumar, R.Thaimattam, S.Dutta, P.Munshi, A.Ramanan
Chemical
Formula: C12 H14 N4 O2 S1,C13 H9 F3 N2 O2
Name: 2-((3-(trifluoromethyl)phenyl)amino)-nicotinic acid 4-amino-N-
(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Synonym: niflumic acid sulfamethazine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.75
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DARNOC
Authors/Journal
Authors: V.Kumar, R.Thaimattam, S.Dutta, P.Munshi, A.Ramanan
Chemical
Formula: C12 H14 N4 O2 S1,C14 H10 F3 N1 O2
Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide 2-
((3-(trifluoromethyl)phenyl)amino)benzoic acid
Synonym: sulfamethazine flufenamic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.71
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DARZAY
Authors/Journal
Authors: C.W.Padgett, R.D.Walsh, G.W.Drake, T.W.Hanks, W.T.Pennington
Chemical
Name: 2,3,5,6-tetrakis(2-Pyridyl)pyrazine hexakis(di-iodine)
Synonym:
Source:
Melting Point:
Colour: reddish-black
Extra Information: air-sensitive
Experimental
R-Factor (%): 13.02
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes: The cell lengths a and b have been transposed in the paper
REFCODE: DARZOM
Authors/Journal
Authors: C.W.Padgett, R.D.Walsh, G.W.Drake, T.W.Hanks, W.T.Pennington
Chemical
Formula: C24 H16 N6,C2 I4
Name: 2,3,5,6-tetrakis(2-Pyridyl)pyrazine 1,1,2,2-tetraiodoethene
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 2.61
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DATDUZ
Authors/Journal
Authors: J.I.Arenas-Garcia, D.Herrera-Ruiz, K.Mondragon-Vasquez,
H.Morales-Rojas, H.Hopfl
Chemical
Formula: 3(C4 H6 N4 O3 S2),C7 H6 O4
Name: 2,3-Dihydroxybenzoic acid tris(N-(5-sulfamoyl-1,3,4-
thiadiazol-2-yl)acetamide)
Synonym: tris(Acetazolamide) 2,3-dihydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 293
Density (CCDC): 1.7
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DATFEL
Authors/Journal
Chemical
Formula: 2(C4 H6 N4 O3 S2),C7 H7 N1 O2
Name: bis(N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide) 2-
hydroxybenzamide
Synonym: bis(N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide)
salicylamide; bis(Acetazolamide) salicylamide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DATFIP
Authors/Journal
Chemical
Name: N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide bis(pyridine-2-
carboxamide)
Synonym: Acetazolamide bis(pyridine-2-carboxamide)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DATQEV
Authors/Journal
Authors: Qingdao Zeng, Dongxia Wu, Chen Wang, Hongwei Ma, Jun Lu,
Caiming Liu, Shandong Xu, Yan Li, Chunli Bai
Chemical
Formula: C12 H8 Cl2 O2 S1,C10 H8 N2
Name: bis(2-Hydroxy-5-chlorophenyl)sulfide 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DATQOF
Authors/Journal
Chemical
Formula: C12 H8 Cl2 O2 S1,C12 H12 N2
Name: bis(2-Hydroxy-5-chlorophenyl)sulfide 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DATQUL
Authors/Journal
Chemical
Formula: C12 H8 Cl2 O2 S1,C10 H8 N2 O2
Name: bis(2-Hydroxy-5-chlorophenyl)sulfide 4,4'-bipyridine N,N'-
dioxide
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DATRAS
Authors/Journal
Chemical
Name: Spirobichromane 1,2-bis(4-pyridyl)ethene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.09
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAVQUN
Authors/Journal
Authors: M.Sevignon, M.Macaud, A.Favre-Reguillon, J.Schulz, M.Rocault,
R.Faure, M.Vrinat, M.Lemaire
Journal: Green Chemistry , 7, 413, 2005
Chemical
Formula: C15 H4 N4 O5,C14 H12 S1
Name: 4,5-Dicyano-2,7-dinitrofluoren-9-one 4,6-
dimethyldibenzothiophene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.77
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAYHUH
Authors/Journal
Authors: M.S.Soylu, N.Caliskan, A.Cukurovali, I.Yilmaz, O.Buyukgungor
Chemical
Formula: C24 H26 Br1 N3 O1 S1,C24 H26 Br1 N3 O1 S1
Name: 4-Bromo-2-((4-(3-mesityl-3-methylcyclobutyl)thiazol-2-
yl)hydrazonomethyl)phenol
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.08
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAYWAC
Authors/Journal
Authors: K.Balasubramani, P.T.Muthiah, R.K.RajaRam, B.Sridhar
Chemical
Name: 2-Amino-4,6-dimethylpyrimidine cinnamic acid
Synonym: Kynathrin cinnamic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAYWAC01
Authors/Journal
Authors: S.Ebenezer, P.T.Muthiah, R.J.Butcher
Chemical
Name: 4,6-dimethylpyrimidin-2-amine bis(3-phenylacrylic acid)
Synonym: 4,6-dimethylpyrimidin-2-amine bis(cinnamic acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.92
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAYZOT
Authors/Journal
Authors: Yong-Tao Wang, Gui-Mei Tang, Da-Wei Qin
Chemical
Name: 2,5-Di-4-pyridyl-1,3,4-oxadiazole malonic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DBTTNB
Authors/Journal
Authors: F.Bechtel, D.Chasseau, J.Gaultier, C.Hauw
Chemical
Name: Dibenzothiophene-trinitrobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DEBTIN
Authors/Journal
Authors: L.E.Overman, M.E.Okazaki, E.J.Jacobsen
Chemical
Formula: C20 H21 N1 O1,0.5(C4 H4 O4)
Name: 1-Benzyl-4-oxo-3a-phenyl-octahydrocyclopenta(b)pyrrole maleic
acid
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes: Coordinates are deposited but cell omitted from deposition and
from main printed text. Author has supplied the data
REFCODE: DEDMAD
Authors/Journal
Authors: M.H.Duran-Palma, S.S.Mendoza-Barraza, N.E.Magana-Vergara,
F.J.Martinez-Martinez, J.S.Gonzalez-Gonzalez
Chemical
Name: 2-(2-oxopyrrolidin-1-yl)acetamide pyridine-2,6-diamine
Synonym: piracetam pyridine-2,6-diamine
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.61
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEDMEH
Authors/Journal
Authors: M.H.Duran-Palma, S.S.Mendoza-Barraza, N.E.Magana-Vergara,
F.J.Martinez-Martinez, J.S.Gonzalez-Gonzalez
Chemical
Name: 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione pyridine-2,6-
diamine
Synonym: theophylline pyridine-2,6-diamine
Source:
Melting Point:
Colour: grey
Extra Information:
Experimental
R-Factor (%): 3.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEJMUD
Authors/Journal
Authors: G.J.Perpetuo, Jan Janczak
Chemical
Formula: 2(C8 H7 F1 O2),C3 H6 N6
Name: 1,3,5-triazine-2,4,6-triamine bis((3-fluorophenyl)acetic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.69
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEJNAK
Authors/Journal
Authors: G.J.Perpetuo, Jan Janczak
Chemical
Formula: 2(C8 H7 F1 O2),C3 H6 N6
Name: 1,3,5-triazine-2,4,6-triamine bis((4-fluorophenyl)acetic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.98
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEMHEJ
Authors/Journal
Authors: Yong-Tao Wang, Gui-Mei Tang, Wen-Zhu Wan
Chemical
Name: Naphthalene-2,7-diol imidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.47
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DETGAN
Authors/Journal
Authors: P.Pandey, R.N.Rai
Chemical
Name: urea N,N-dimethylpyridin-4-amine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEVXUA
Authors/Journal
Authors: B.K.Mehta, Shiv Shankar Singh, S.Chaturvedi, M.Wahajuddin,
T.S.Thakur
Chemical
Name: 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol 1,3,5,7-
tetraazatricyclo[3.3.1.1$3,7!]decane
Synonym: trans-resveratrol 1,3,5,7-tetraazatricyclo[3.3.1.1$3,7!]decane
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEVYEL
Authors/Journal
T.S.Thakur
Chemical
Name: 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol piperazine
Synonym: trans-Resveratrol piprazine
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.44
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEVYIP
Authors/Journal
T.S.Thakur
Chemical
Name: 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
bis(pyrrolidine-2,5-dione)
Synonym: trans-resveratrol bis(succinimide)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.48
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEVYUB
Authors/Journal
T.S.Thakur
Chemical
Formula: C14 H12 O3,3.5(C12 H8 N2)
Name: 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol phenazine
Synonym: trans-resveratrol phenazine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEXPII
Authors/Journal
Authors: R.D.Rogers, S.C.Blackstock
Chemical
Name: tris(2,3,5,6-tetramethyl-1,4-dioxo-1,4-pyrazine) 1H,3H-
benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEXWAE
Authors/Journal
Authors: M.Riklin, A.von Zelewsky, A.Bashall, M.McPartlin, A.Baysal,
J.A.Connor, J.D.Wallis
Chemical
Name: 9,9'-Bi-4,5-diaza-9H-fluorenylidene 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.33
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DEYQUW
Authors/Journal
Authors: S.K.Nechipadappu, D.R.Trivedi
Chemical
Name: 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid 2-
ethoxybenzamide
Synonym: sinapic acid 2-ethoxybenzamide
Source:
Melting Point:
Colour:
Extra Information: sinapic acid is a nutraceutical compound with anti-oxidant,
anti-microbial, anti-inflammatory, anti-cancer and anti-anxiety properties
Experimental
R-Factor (%): 6.42
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEYRAD
Authors/Journal
Authors: S.K.Nechipadappu, D.R.Trivedi
Chemical
Formula: C11 H12 O5,C7 H4 Cl1 N1 O4
Name: 2-chloro-4-nitrobenzoic acid 3-(4-hydroxy-3,5-
dimethoxyphenyl)prop-2-enoic acid
Synonym: sinapic acid 2-chloro-4-nitrobenzoic acid
Source:
Melting Point:
Colour:
Extra Information: sinapic acid is a nutraceutical compound with anti-oxidant,
anti-microbial, anti-inflammatory, anti-cancer and anti-anxiety properties
Experimental
R-Factor (%): 5.94
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DEZHIA
Authors/Journal
Authors: Xiaokang Li, Lvyin Zhen, Yulan Fan, Xiaolin Fan, Qingdao Zeng
Chemical
Name: 9,10-bis(3,5-Dihydroxyphenyl)anthracene bis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DIBMEG
Authors/Journal
Authors: S.Fujita, A.Takenaka, Y.Sasada
Journal: Biochemistry , 24, 508, 1985
Chemical
Name: 9-(2-Carbamoylethyl)-guanine 1-methylcytosine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DICVUH
Authors/Journal
Authors: M.Ratajczak-Sitarz, A.Katrusiak, K.Gawronska, J.Gawronski
Journal: Tetrahedron:Asymm. , 18, 765, 2007
Chemical
Name: (R,R)-(-)-1,2-Diamino-1,2-diphenylethane (S)-(-)-1,1'-bi-2-
naphthol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DICWIV
Authors/Journal
Authors: R.M.Acheson, C.T.Lines, M.R.Bryce, Z.Dauter, C.D.Reynolds,
A.Schmidpeter
Chemical
Formula: C7 H7 N2 P1 S3,C5 H5 N1
Name: 2,3-Dihydro-2-mercapto-2,1,3-benzophosphadiazine-4(1H)-thione-
2-sulfide pyridine
Synonym:
Source:
Colour: bright yellow
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DIFDOM
Authors/Journal
Authors: M.Bouvet, B.Malezieux, P.Herson, F.Villain
Chemical
Name: 2-Methoxy-1,4-benzoquinone 2-methoxybenzene-1,4-diol
Synonym: PDB Chemical Component code: MCW
Source:
Melting Point: 103deg.C(dec)
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DIFFOO
Authors/Journal
Chemical
Name: (R,R)-(-)-1,2-Diaminocyclohexane (R)-(-)-1,1'-bi-2-naphthol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [SUVNEC]
Experimental
R-Factor (%): 4.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DIJVOH
Authors/Journal
Authors: R.Martin, T.H.Lilley, N.A.Bailey, C.P.Falshaw, E.Haslam,
D.Magnolato, M.J.Begley
Chemical
Name: Caffeine methyl gallate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.51
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DIJVUN
Authors/Journal
Authors: R.Martin, T.H.Lilley, N.A.Bailey, C.P.Falshaw, E.Haslam,
D.Magnolato, M.J.Begley
Chemical
Name: Caffeine m-nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.35
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DIKTUN
Authors/Journal
Authors: L.Copolovici, C.Silvestru, V.Lippolis, R.A.Varga
Chemical
Formula: C9 H11 I1 Te1,C27 H33 I1 Te2
Name: Iodo-mesityl-tellurium(ii) iodo-trimesityl-di-tellurium(ii)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.04
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DILSOI
Authors/Journal
Authors: Qi Feng, Mingliang Wang, Baoli Dong, Jing He, Chunxiang Xu
Chemical
Name: 1-(3-Phenyl-5-(pyren-1-yl)-4,5-dihydro-1H-pyrazol-1-
yl)ethanone phenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DIMSUP
Authors/Journal
Authors: Z.Dega-Szafran, M.Szafran, A.Katrusiak
Journal: Aust.J.Chem. , 66, 836, 2013
Chemical
Name: 2-(1-Azoniabicyclo[2.2.2]oct-1-yl)propanoate 3,4-
dihydroxycyclobut-3-ene-1,2-dione
Synonym: 2-(Quinuclidinium)propionate squaric acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DIMZUU12
Authors/Journal
Authors: T.V.Sreevidya, Deng-Ke Cao, T.Lavy, M.Botoshansky, M.Kaftory
Chemical
Name: bis(pyridin-2(1H)-one) 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-
diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: Irradiated for 1 hour
Experimental
R-Factor (%): 4.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DIMZUU13
Authors/Journal
Chemical
Name: bis(pyridin-2(1H)-one) 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-
diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DINPAR10
Authors/Journal
Authors: E.Zobetz, A.Preisinger
Journal: Monatsh.Chem. , 120, 291, 1989
Chemical
Formula: C5 H11 N1 O2,H3 B1 O3
Name: Betaine borate
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DINRUP01
Authors/Journal
Authors: A.Lemmerer, D.A.Adsmond, C.Esterhuysen, J.Bernstein
Chemical
Name: 2,4-dihydroxybenzoic acid nicotinamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DINSIE
Authors/Journal
Chemical
Name: 3-hydroxybenzoic acid bis(acridine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DINSOK
Authors/Journal
Chemical
Name: 3-hydroxybenzoic acid acridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DINSOK01
Authors/Journal
Chemical
Name: 3-hydroxybenzoic acid acridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DIPHUH
Authors/Journal
Authors: Soumyajit Ghosh, A.Mondal, M.S.R.N.Kiran, U.Ramamurty,
C.Malla, Reddy
Chemical
Formula: C8 H10 N4 O2,C7 H4 Cl1 N1 O4
Name: 4-Chloro-3-nitrobenzoic acid 1,3,7-trimethyl-3,7-dihydro-1H-
purine-2,6-dione
Synonym: Caffeine 4-chloro-3-nitrobenzoic acid
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.65
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DIPHUH01
Authors/Journal
Authors: Soumyajit Ghosh, A.Mondal, M.S.R.N.Kiran, U.Ramamurty,
C.Malla, Reddy
Chemical
Name: 4-Chloro-3-nitrobenzoic acid 1,3,7-trimethyl-3,7-dihydro-1H-
purine-2,6-dione
Synonym: Caffeine 4-chloro-3-nitrobenzoic acid
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.61
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DIPJAQ
Authors/Journal
Authors: S.Darwish, J.Zeglinski, G.R.Krishna, R.Shaikh, M.Khraisheh,
G.M.Walker, D.M.Croker
Chemical
Name: 2-(acetyloxy)benzoic acid 1,3-dimethyl-3,7-dihydro-1H-purine-
2,6-dione
Synonym: theophylline aspirin
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DISXOU
Authors/Journal
Authors: M.Zegarac, E.Leksic, P.Sket, J.Plavec, M.D.Bogdanovic, D.-
K.Bucar, M.Dumic, E.Mestrovic
Chemical
Formula: C22 H30 N6 O4 S1,C9 H8 O4
Name: 5-(2-Ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-1-
methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one 2-acetoxybenzoic acid
Synonym: 5-(2-Ethoxy-5-((4-methylpiperazin-1-yl)sulfonyl)phenyl)-1-
methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one aspirin
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 12.44
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DIVDAO
Authors/Journal
Chemical
Formula: C6 F4 I2,C4 H8 O2
Name: Tetrafluoro-1,4-diiodobenzene 1,4-dioxane
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 3.53
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DIVTAD
Authors/Journal
Authors: H.Ueda, H.Onishi, T.Nagai
Chemical
Name: p-Aminobenzoic acid 1,3-dimethyl-2-imidazolidinone
Synonym:
Source:
Melting Point: 380K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DIWGOG
Authors/Journal
Authors: Yue Pan, Kunhao Li, Wenhua Bi, Jing Li
Chemical
Name: Adamantane-1,3-dicarboxylic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.81
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DMPTCN
Authors/Journal
Authors: Y.Ohashi
2863, 1973
Chemical
Name: N,N-Dimethyl-p-phenylenediamine-1,2,4,5-tetracyanobenzene
complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DMTEII
Authors/Journal
Authors: H.Pritzkow
Journal: Inorg.Chem. , 18, 311, 1979
Chemical
Formula: C2 H6 I2 Te1,I2
Name: Dimethyl-di-iodo-tellurium iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DOCFEG
Authors/Journal
Authors: H.W.Roesky, J.Sundermeyer, J.Schimkowiak, T.Gries,
M.Noltemeyer, G.M.Sheldrick
Chemical
Formula: C4 As1 Cl2 F5 N4 S3,O2 S1
Name: (3-Chloro-4-(4-chloro-1,2,3-dithiazol-(5H)-5-imino)-1,2,5-
thiadiazolium-2-yl)-pentafluoroarsenate sulfur dioxide
Synonym:
Source:
Melting Point: 150deg.C(dec.)
Colour: lemon-yellow
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DOCRIW01
Authors/Journal
Authors: S.Bernes, M.Arroyo, L.Melendez
Chemical
Formula: C18 H15 O1 P1,C6 H1 F5 O1
Name: Triphenylphosphine oxide pentafluorophenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOCWUN
Authors/Journal
Authors: A.A.Espenbetov, Yu.T.Struchkov, I.A.Poplavskaya,
R.G.Kurmangalieva
Journal: Izv.Akad.Nauk Kaz.SSR,Ser.Khim.(Russ.)
(Bull.Acad.Sci.Kazakhstan,Chem.) , , 57-6, 1985
Chemical
Name: 1-(1,2-bis(Hydroxyimino)propyl)-3-methyl-2-pyridone 2-amino-3-
methylpyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.29
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: HI(C9)has been removed due to a suspected error
REFCODE: DOGBAF
Authors/Journal
Authors: Y.Santiago de Oliveira, W.Saraiva Costa, P.Ferreira Borges,
M.Silmara Alves de Santana, A.P.Ayala
Chemical
Name: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate benzoic
acid
Synonym: benzoylmetronidazole benzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOGBEJ
Authors/Journal
Chemical
Name: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate
naphthalen-2-ol
Synonym: benzoylmetronidazole naphthalen-2-ol
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 5.84
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOGBIN
Authors/Journal
Chemical
Name: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate 4-
methoxybenzoic acid
Synonym: benzoylmetronidazole 4-methoxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.86
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOGBOT
Authors/Journal
Chemical
Name: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate 3,5-
dinitrobenzoic acid
Synonym: benzoylmetronidazole 3,5-dinitrobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.45
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOGCAG
Authors/Journal
Chemical
Name: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl benzoate 2-
hydroxybenzoic acid
Synonym: benzoylmetronidazole salicylic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.17
Temperature: 301
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOGCIO
Authors/Journal
Chemical
Formula: C13 H13 N3 O4,0.5(C6 H6 O2)
hemikis(resorcinol)
Synonym: benzoylmetronidazole hemikis(resorcinol)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.84
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOGCOU
Authors/Journal
Chemical
Formula: C13 H13 N3 O4,0.5(C4 H4 O4)
hemikis(fumaric acid)
Synonym: benzoylmetronidazole hemikis(fumaric acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.14
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOGLEQ
Authors/Journal
Authors: H.M.Colquhoun, S.M.Doughty, J.F.Stoddart, A.M.Z.Slawin,
D.J.Williams
Chemical
Name: bis(Picric acid) dibenzo-24-crown-8
Synonym:
Source:
Melting Point: 107.5-109deg.C
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DOKGEQ
Authors/Journal
Authors: B.Piotrkowska, A.Wasilewska, M.Gdaniec, T.Polonski
Chemical
Name: 4,4'-Bipyridine dithio-oxamide
Synonym:
Source:
Melting Point: 204-205deg.C(dec)
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOKGUG
Authors/Journal
Authors: B.Piotrkowska, A.Wasilewska, M.Gdaniec, T.Polonski
Chemical
Name: 1,4-Diazabicyclo(2.2.2)octane dithio-oxamide
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.42
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOLXOT
Authors/Journal
Authors: D.Ghorai, G.Mani
Chemical
Formula: C26 H31 N9,C8 H2 Cl2 N2 O2
Name: 1,1',1'',1'''-(1H-Pyrrole-2,5-
diylidenedimethanediylylidene)tetrakis(3,5-dimethyl-1H-pyrazole) 4,5-dichloro-3,6-
dihydroxyphthalonitrile
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.25
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOPCUG
Authors/Journal
Authors: B.Feibush, A.Figueroa, R.Charles, K.D.Onan, P.Feibush,
B.L.Karger
Chemical
Name: N,N'-2,6-Pyridinediyl-bis(butanamide) 4-ethyl-4-methyl-
piperidine-2,6-dione
Synonym: N,N'-2,6-Pyridinediyl-bis(butanamide) bemegride
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DOQCOE
Authors/Journal
Authors: A.O.L.Evora, C.E.S.Bernardes, M.Fatima M.Piedade,
A.C.L.Conceicao, M.E.M.da Piedade
Chemical
Name: bis(glycine) fumaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.57
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOQJID
Authors/Journal
Authors: P.Cornago, P.Cabildo, R.M.Claramunt, L.Bouissane, E.Pinilla,
M.R.Torres, J.Elguero
Chemical
Name: (E)-3-(beta-(4-hydroxy-3-methoxyphenyl)ethenyl)-4,5-dimethyl-
1H-pyrazole bis((E)-5-(beta-(4-hydroxy-3-methoxyphenyl)ethenyl)-3,4-dimethyl-1H-
pyrazole)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.69
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOQWUD
Authors/Journal
Authors: M.Juribasic, N.Bregovic, V.Stilinovic, V.Tomisic, M.Cindric,
P.Sket, J.Plavec, M.Rubcic, K.Uzarevic
Chemical
Name: 2-(((3-Hydroxypyridin-2-yl)iminio)methyl)-6-methoxyphenolate
2-aminopyridinium-3-olate
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 4.75
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOSYUI
Authors/Journal
Authors: P.M.J.Szell, L.Grebert, D.L.Bryce
Chemical
Formula: 2(C7 H10 N2),C6 H4 I2
Name: bis(N,N-dimethylpyridin-4-amine) 1,4-diiodobenzene
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 2.83
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOTKAA
Authors/Journal
Authors: Qiaoyun Liu, Jing Wu, Junfei Li, Junwen Wang, Wenjun Zheng,
H.W.Roesky
Journal: Phosphorus,Sulfur,Silicon,Relat.Elem. , 189, 1455, 2014
Chemical
Formula: C12 H15 N2 P1,C12 H15 N2 P1
Name: 3-t-butyl-5-phenyl-1H-1,2,4-diazaphosphole 5-t-butyl-3-phenyl-
1H-1,2,4-diazaphosphole
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.56
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOTKII
Authors/Journal
Authors: Qiaoyun Liu, Jing Wu, Junfei Li, Junwen Wang, Wenjun Zheng,
H.W.Roesky
Chemical
Formula: C8 H7 N2 P1,C8 H7 N2 P1
Name: 3-phenyl-1H-1,2,4-diazaphosphole 5-phenyl-1H-1,2,4-
diazaphosphole
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.09
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOWQIQ
Authors/Journal
Chemical
Name: 1-Pyridiniumylacetate 4-hydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DOXABR
Authors/Journal
Authors: O.Hassel, J.Hvoslef
Chemical
Formula: C4 H8 O2,Br2
Name: 1,4-Dioxane-bromine
Synonym: Teaching Subset: Fundamental Chemistry
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DOXIAC
Authors/Journal
Authors: P.Gagnaux, B.P.Susz
Chemical
Formula: C4 H8 O2,C2 I2
Name: 1,4-Dioxane-di-iodoacetylene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 25.01
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DOXSEC
Authors/Journal
Authors: N.W.Alcock, J.F.Sawyer
Chemical
Formula: C4 H8 O2,Cl2 O1 Se1
Name: Dioxane-seleninyl-dichloride
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DOXSUL
Authors/Journal
Authors: O.Hassel, C.Romming
Chemical
Formula: C4 H8 O2,H2 O4 S1
Name: 1,4-Dioxane sulfuric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DOYDAW
Authors/Journal
Authors: C.Lariucci, R.H.de Almeida Santos, J.R.Lechat
Chemical
Formula: C18 H15 As1 O1,C6 H5 N1 O3
Name: Triphenylarsine oxide p-nitrophenol
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DOZCAZ
Authors/Journal
Authors: Shangxi Zhang, Xiangfeng Shao
Journal: Huaxue Xuebao(Chin.)(Acta Chim.Sinica) , 76, 531, 2018
Chemical
Formula: C60,C16 H12 O4 S6
Name: C60fullerene 2-(6,7-dimethoxy-2H-[1,3]dithiolo[4,5-b]
[1,4]benzodithiin-2-ylidene)-5,6-dihydro-2H-[1,3]dithiolo[4,5-b][1,4]dioxine
Synonym:
Source:
Melting Point:
Colour: dark black
Extra Information:
Experimental
R-Factor (%): 7.88
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DPHPZL
Authors/Journal
Authors: T.Uno, N.Shimizu
2794, 1980
Chemical
Name: 5,5-Diphenylhydantoin 1-(4-bromophenyl)-4-dimethylamino-2,3-
dimethyl-3-pyrazolin-5-one
Synonym: phenytoin 1-(4-bromophenyl)-4-dimethylamino-2,3-dimethyl-3-
pyrazolin-5-one
Source:
Melting Point:
Colour: colorless
Extra Information: antiepileptic drug
Experimental
R-Factor (%): 3.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DSEIOD
Authors/Journal
Authors: G.Y.Chao, J.D.McCullough
Chemical
Formula: C4 H8 Se2,2(I2)
Name: 1,4-Diselenane bis(iodine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.5
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DTHINI
Authors/Journal
Authors: G.Y.Chao, J.D.McCullough
Chemical
Formula: C4 H8 S2,2(I2)
Name: 1,4-Dithiane bis(iodine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DTHIOF
Authors/Journal
Authors: T.Bjorvatten, O.Hassel
Chemical
Formula: C4 H8 S2,C1 H1 I3
Name: 1,4-Dithiane iodoform
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.4
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DTHOLC
Authors/Journal
Authors: D.J.Dahm, G.R.Johnson, F.L.May, M.G.Miles, J.D.Wilson
Chemical
Formula: C6 H4 S4,0.92(Cl1)
Name: cdelta$2,2'!-bis(1,3-Dithiolidene) chloride
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DUCCAI
Authors/Journal
Authors: G.N.Anil Kumar, A.Sowmya
Chemical
Name: 4-chlorobenzoic acid pyridine-4-carbonitrile
Synonym: 4-Chlorobenzoic acid 4-cyanopyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.41
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DUCXOP
Authors/Journal
Authors: Xiang-Jun Shi, Zhi-Chao Wang, Qiang Chen, Xiao-Jun Zhao
Chemical
Formula: 2(C8 H8 N2 S1),C10 H18 O4
Name: bis(2-Amino-6-methyl-1,3-benzothiazole) decanedioic acid
Synonym:
Source:
Melting Point:
Colour: pale-yellow
Extra Information:
Experimental
R-Factor (%): 3.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DUDBUZ
Authors/Journal
Authors: Yu.A.Fialkov, Yu.T.Struchkov, I.M.Zalesskaya, A.I.Yanovsky,
V.N.Kalinin
Chemical
Formula: C9 H12 F6 O2,C9 H6 F6 O2
Name: cis-e,a-4-(2-Hydroxy-perfluoroisopropyl)-cyclohexanol 4-(2-
hydroxy-perfluoroisopropyl)-phenol
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 12.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DUGRIG
Authors/Journal
Authors: F.Toda, Y.Tagami, T.C.W.Mak
Chemical
Name: m-Cresol N,N,N',N'-tetraisopropyloxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DUGROM
Authors/Journal
Chemical
Name: p-Cresol N,N,N',N'-tetraisopropyloxamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DUGRUS
Authors/Journal
Chemical
Name: bis(p-Cresol) N,N,N',N'-tetraisopropyloxamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: DUHSEF
Authors/Journal
Authors: V.I.Meshcheryakov, M.Yu.Moskalik, A.Kelling, U.Schilde,
I.A.Ushakov, B.A.Shainyan
Chemical
Formula: C7 H12 O4,C1 H2 F3 N1 O2 S1
Name: 2,4,8,10-Tetraoxospiro(5.5)undecane trifluoromethylsulfonamide
Synonym: PDB Chemical Component code: FMS
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.99
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DUJXUD
Authors/Journal
Authors: S.Mittapalli, M.K.Chaitanya Mannava, U.B.Rao Khandavilli,
S.Allu, Ashwini Nangia
Chemical
Formula: 2(C22 H17 Cl1 N2),C6 H10 O4
Name: 1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazole bis(adipic
acid)
Synonym: clotrimazole bis(adipic acid)
Source:
Colour: colorless
Extra Information: clotrimazole has antifungal activity
Experimental
R-Factor (%): 5.85
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DUMWEQ
Authors/Journal
Authors: G.Parvathy, R.Kaliammal, K.Sankaranarayanan, M.Arivanandhan,
M.Krishna Kumar, S.Sudhahar
Chemical
Name: 5-chloro-2-hydroxybenzoic acid 4-hydroxy-3-methoxybenzaldehyde
Synonym: 4-hydroxy-3-methoxybenzaldehyde 5-chlorosalycylic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.38
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DUNRIP
Authors/Journal
Authors: S.Varughese, A.A.Hoser, K.N.Jarzembska, V.R.Pedireddi,
K.Wozniak
Chemical
Name: 3,4-Dihydroxybenzoic acid 4,4'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.33
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DUNSAI
Authors/Journal
K.Wozniak
Chemical
Name: 1,2-bis(4-Pyridyl)ethane 3,4-dihydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.15
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DUPCIA10
Authors/Journal
Authors: S.Mitani
Journal: Annu.Rep.Res.R.I.,Kyoto U. , 19, 1, 1986
Chemical
Formula: C24 H12,I2
Name: Coronene iodine
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Several C-H bond length discrepencies due to rounding errors;
these bonds have not been retained
REFCODE: DUPXEU
Authors/Journal
Authors: L.C.Harfouche, N.Couvrat, M.Sanselme, C.Brandel, Y.Cartigny,
S.Petit, G.Coquerel
Chemical
Name: 2-hydroxybenzoic acid 7-(2-hydroxypropyl)-1,3-dimethyl-3,7-
dihydro-1H-purine-2,6-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.64
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DUQZAT
Authors/Journal
Authors: G.Campillo-Alvarado, E.A.Keene, D.C.Swenson, L.R.MacGillivray
Chemical
Formula: C8 H10 F1 N3 O3 S1,0.5(C12 H10 N2)
Name: [4-amino-5-fluoro-1-((2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-
5-yl)pyrimidin-2(1H)-one] hemikis[1,2-bis(4-pyridyl)ethylene]
Synonym: emtricitabine hemikis(4,4'-(ethene-1,2-diyl)dipyridine)
Source:
Melting Point:
Colour: yellow
Extra Information: emtricitabine is an anti-HIV drug
Experimental
R-Factor (%): 3.69
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DURYUK
Authors/Journal
Authors: J.J.Stezowski, R.-D.Stigler, N.Karl
Chemical
Name: Biphenylene 1,2,4,5-tetracyanobenzene
Synonym:
Source:
Melting Point: 507K
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x(C11) should probably be -0.0532, not -0.5392
REFCODE: DURYUK01
Authors/Journal
Authors: G.Agostini, C.Corvaja, G.Giacometti, L.Pasimeni, D.A.Clemente,
G.Bandoli
Chemical
Name: Biphenylene 1,2,4,5-tetracyanobenzene
Synonym:
Source:
Melting Point:
Colour: ruby
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information: x-ray
CCDC Notes: This structure was previously labelled as an electron-
diffraction study. The article does not appear to mention the technique
REFCODE: DUVHAE01
Authors/Journal
Authors: Yi-Hong Gao
Chemical
Name: Benzene-1,3-diol 1,4-diazabicyclo[2.2.2]octane
Synonym: Resorcinol triethylenediamine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DUWLAL
Authors/Journal
Authors: Lulu Zheng, Bin Zhu, Zengrui Wu, Xiaoxue Fang, Minghuang Hong,
Guixia Liu, Weihua Li, Guobin Ren, Yun Tang
Chemical
Formula: C24 H23 N5 O1,0.5(C12 H22 O4)
Name: N-[4-(1-cyanocyclopentyl)phenyl]-2-{[(pyridin-4-
yl)methyl]amino}pyridine-3-carboxamide hemikis(dodecanedioic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.51
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DUWXAW
Authors/Journal
Authors: V.M.Dyulgerov, L.T.Dimowa, K.Kossev, R.P.Nikolova,
B.L.Shivachev
Journal: Bulgarian Chemical Communications(Izvestiya po Khimiya) , 47,
311, 2015
Chemical
Name: 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione hemikis(N,N'-
ethane-1,2-diyldiformamide)
Synonym: Theophylline hemikis(N,N'-ethane-1,2-diyldiformamide)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.78
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DUXZAX
Authors/Journal
Authors: H.Wiedenfeld, F.Knoch
Journal: Arch.Pharm.Chem.Life Sci. , 319, 654, 1986
Chemical
Name: Theophylline urea
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Several of the bonds in the right-hand column of the bond
table have been mislabelled. The values of C6-N1 and C1-N1 should be interchanged
and C1 should be labelled C11
REFCODE: DUZPEU
Authors/Journal
Authors: R.Moreno-Fuquen, J.Theodoro, J.Ellena, A.M.Montano-A.,
R.Atencio
Chemical
Name: bis(3-Nitrophenol) 4,4'-bipyridyl N,N'-dioxide
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EADBAC
Authors/Journal
Authors: D.Voet, A.Rich
Chemical
Name: 9-Ethyladenine-5-isopropyl-5-bromoallylbarbituric acid complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: EADBAR10
Authors/Journal
Authors: D.Voet
Chemical
Name: 9-Ethyladenine-5,5-diethylbarbituric acid complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: H1 REMOVED,COORDINATES APPEAR TO BE IN ERROR
REFCODE: EADPBA
Authors/Journal
Authors: H.-S.Shieh, D.Voet
2361, 1976
Chemical
Name: 9-Ethyladenine-parabanic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: EBERIP
Authors/Journal
Authors: G.E.Delgado, J.Buno-Colmenarez
Chemical
Name: 2-aminopyridine malonic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 12.39
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EBEROV
Authors/Journal
Authors: G.E.Delgado, J.Buno-Colmenarez
Chemical
Formula: C6 H6 Cl1 N1,C3 H4 O4
Name: malonic acid 4-chloroaniline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.81
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EBIBEW
Authors/Journal
Authors: L.Ladanyi, I.Sztruhar, Z.Budai, G.Lukacs, T.Mezel, G.Argay,
A.Kalman, G.Simig
Journal: Chirality , 11, 689, 1999
Chemical
Name: Deramciclane fumarate
Synonym: (-)-(1R,2S,4R)-2-(2-Dimethylaminoethoxy)-2-phenyl-1,7,7-
trimethylbicyclo(2.2.1)heptane fumarate
Source:
Melting Point: 210-213deg.C.(dec.)
Colour: colorless
Extra Information: anxiolytic activity
Experimental
R-Factor (%): 3.43
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: EBILOR
Authors/Journal
Authors: I.Boldog, E.B.Rusanov, J.Sieler, K.V.Domasevitch
Chemical
Name: 3,5-Dimethylpyrazole phenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EBOLEP
Authors/Journal
Authors: C.Tantardini, S.G.Arkhipov, K.A.Cherkashina, A.S.Kil'met'ev,
E.V.Boldyreva
Journal: Acta Crystallogr.,Sect.E:Cryst.Commun. , 72, 1856, 2016
Chemical
Formula: C14 H13 N3 O4 S2,0.5(C4 H2 O4)
Name: 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-
benzothiazine-3-carboxamide 1,1-dioxide hemikis(acetylendicarboxylic acid)
Synonym: meloxicam hemikis(acetylendicarboxylic acid)
Source:
Melting Point:
Colour: colorless
Extra Information: Meloxicam is a nonsteroidal anti-inflammatory drug (NSAID)
Experimental
R-Factor (%): 3.62
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EBONAN
Authors/Journal
Authors: Xiaoming Zhang, Yuyang Tian, Jiangtao Jia, Tingting Zhang,
Guangshan Zhu
Chemical
Name: 3-hydroxy-1,2-dimethylpyridin-4(1H)-one 4-hydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EBOSIX01
Authors/Journal
Authors: S.Ohba, H.Hosomi, Y.Ito
Chemical
Name: Phthalic acid bis(trans-cinnamamide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EBOSIX02
Authors/Journal
Authors: Y.Ito, H.Hosomi, S.Ohba
Chemical
Name: bis(trans-Cinnamamide) benzene-1,2-dicarboxylic acid
Synonym: bis(trans-Cinnamamide) phthalic acid
Source:
Melting Point: 142-143.5 deg.C
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EBPETY
Authors/Journal
Authors: G.Simundza, T.D.Sakore, H.M.Sobell
Chemical
Formula: C7 H9 Br1 N6,C7 H10 N2 O2
Name: 9-Ethyl-8-bromo-2,6-diaminopurine-1-ethylthymine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: EBPMUR
Authors/Journal
Authors: G.Simundza, T.D.Sakore, H.M.Sobell
Chemical
Name: 9-Ethyl-8-bromo-2,6-diaminopurine-1-methyluracil complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ECAKAX
Authors/Journal
Authors: B.Z.Wang, J.P.Zhou, Y.Zhou, J.S.Luo, J.J.Yang, S.M.Chi
Chemical
Name: N-(7-(dibromomethyl)-5-methyl-1,8-naphthyridin-2-yl)benzamide
pyrrolidine-2,5-dione
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 6.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECEQEL
Authors/Journal
Authors: N.Bedekovic, V.Stilinovic, T.Pitesa
Chemical
Name: 2-[(carboxymethyl)amino]benzoic acid pyridine-4-carbonitrile
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.48
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECEREM
Authors/Journal
Chemical
Name: 2-[(carboxymethyl)amino]benzoic acid methyl pyridine-4-
carboxylate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.67
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECERIQ
Authors/Journal
Chemical
Name: 2-[(carboxymethyl)amino]benzoic acid phenyl(pyridin-4-
yl)methanone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.21
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECEROW
Authors/Journal
Chemical
Name: 2-[(carboxymethyl)amino]benzoic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.94
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECICEY
Authors/Journal
Authors: M.S.Fonar', Yu.A.Simonov, V.Kh.Kravtsov, Ja.Lipkowski,
A.A.Yavolovski, E.V.Ganin
Chemical
Name: (18-Crown-6) 4-amino-3-ethoxycarbonyl-1,2,5-oxadiazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECICIC
Authors/Journal
Authors: M.S.Fonar', Yu.A.Simonov, V.Kh.Kravtsov, Ja.Lipkowski,
A.A.Yavolovski, E.V.Ganin
Chemical
Formula: C12 H24 O6,2(C5 H8 Cl1 N5 O2)
Name: (18-Crown-6) bis(4-(2-chloroethylamino)-3-carbhydrazido-1,2,5-
oxadiazole)
Synonym:
Source:
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECISIT
Authors/Journal
Authors: R.Nunez, P.Farras, F.Teixidor, C.Vinas, R.Sillanpaa, R.Kivekas
Chemical
Formula: C15 H23 B10 P1,0.5(I2)
Name: 1-Diphenylphosphino-2-methyl-1,2-dicarbadodecaborane(10)
hemikis(iodine)
Synonym:
Source:
Melting Point:
Colour: red-brown
Extra Information:
Experimental
R-Factor (%): 4.97
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUQUO
Authors/Journal
Authors: Qianli Chu, Zhemin Wang, Qichen Huang, Chunhua Yan, Shizheng
Zhu
Chemical
Formula: C4 F8 I2,C6 H18 N3 O1 P1
Name: 1,4-Di-iodo-1,1,2,2,3,3,4,4-octafluorobutane
hexamethylphosphoramide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR01
Authors/Journal
Authors: Huanqing Ye, Guangfeng Liu, Sheng Liu, D.Casanova, Xin Ye,
Xutang Tao, Qichun Zhang, Qihua Xiong
Chemical
Name: anthracene octafluoronaphthalene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.57
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR02
Authors/Journal
Authors: A.Friedrich, I.E.Collings, K.F.Dziubek, S.Fanetti, K.Radacki,
J.Ruiz-Fuertes, J.Pellicer-Porres, M.Hanfland, D.Sieh, R.Bini, S.J.Clark,
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: mounted in a diamond-anvil cell
Experimental
R-Factor (%): 4.53
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: synchrotron; 5.205(15) GPa; 293 K
CCDC Notes:
REFCODE: ECUTUR03
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 7.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR04
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 8.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR05
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR06
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 7.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR07
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.83
Temperature: 293
Density (CCDC): 1.8
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR08
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR09
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.76
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR11
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR12
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR13
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR14
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR15
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR16
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR17
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.48
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR18
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.15
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR19
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR20
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR21
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR22
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.85
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR23
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 7.46
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR24
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 11.51
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR25
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.44
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR26
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ECUTUR27
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 3.53
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EDAGIZ
Authors/Journal
Authors: J.I.Jay, C.W.Padgett, R.D.B.Walsh, T.W.Hanks, W.T.Pennington
Chemical
Formula: C4 H6 N2 S1,C6 F4 I2
Name: 2-Mercapto-1-methyl-imidazole tetrafluoro-1,4-di-iodobenzene
Synonym: Methimazole tetrafluoro-1,4-di-iodobenzene
Source:
Melting Point:
Extra Information: methimazole is an antithyroid drug
Experimental
R-Factor (%): 3.63
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EDAGUL
Authors/Journal
Authors: J.I.Jay, C.W.Padgett, R.D.B.Walsh, T.W.Hanks, W.T.Pennington
Chemical
Name: 2-Mercapto-1-methyl-imidazole tetrafluoro-1,2-di-iodobenzene
Synonym: Methimazole tetrafluoro-1,2-di-iodobenzene
Source:
Colour: colorless
Extra Information: methimazole is an antithyroid drug
Experimental
R-Factor (%): 3.32
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EDAPOQ
Authors/Journal
Authors: L.Orola, M.V.Veidis
Chemical
Name: nicotinamide fumaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.27
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EDCDMP10
Authors/Journal
Authors: C.Bavoux, A.Thozet
Chemical
Formula: C6 H4 Cl2 O1,C8 H10 O1
Name: 3,5-Dichlorophenol 2,6-dimethylphenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: EDECOF
Authors/Journal
Authors: S.Roelens, P.Dapporto, P.Paoli
Chemical
Name: (1R,2R)-1,2-diaminocyclohexane (S)-1-phenyl-1,2-ethanediol
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EFAWUF
Authors/Journal
Authors: P.Castro-Montes, J.A.Guerrero-Alvarez, H.Hopfl, J.J.Campos-
Gaxiola, A.Cruz-Enriquez
Chemical
Name: bis(4-[(E)-2-(Pyridin-2-yl)ethenyl]pyridine) terephthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.46
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EFOZAB
Authors/Journal
Authors: M.Gryl, A.Krawczuk, K.Stadnicka
Chemical
Name: 2,4,6(1H,3H,5H)-Pyrimidinetrione urea
Synonym: barbituric acid urea
Source:
Melting Point:
Colour: yellowish
Extra Information:
Experimental
R-Factor (%): 4.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EFOZAB01
Authors/Journal
Chemical
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.25
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EFOZAB02
Authors/Journal
Chemical
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EFUCEP
Authors/Journal
Authors: Jing Zhang, Shouwen Jin, Lin Tao, Bin Liu, Daqi Wang
Chemical
Name: 2-aminobenzoic acid 2-methylquinoline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.83
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGENIP
Authors/Journal
Authors: Jian-Rong Wang, Chanjuan Ye, Xuefeng Mei
Chemical
Name: Pyrazine-2-carboxamide 6-chloro-3,4-dihydro-2H-1,2,4-
benzothiadiazine-7-sulfonamide 1,1-dioxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.38
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGENUB
Authors/Journal
Chemical
Formula: C12 H12 N2,C7 H8 Cl1 N3 O4 S2
Name: 6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide
1,1-dioxide 4,4'-ethane-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEPAJ
Authors/Journal
Chemical
Formula: C7 H8 Cl1 N3 O4 S2,2(C12 H10 N2)
Name: 6-Chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide
1,1-dioxide 4,4'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.12
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEVOE
Authors/Journal
Authors: I.E.Collings, M.Hanfland
Chemical
Formula: C7 H5 N1 O1,0.25(He1)
Name: 4-hydroxybenzonitrile helium
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: High-pressure diffraction with helium as the pressure-
transmitting medium
Experimental
R-Factor (%): 7.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEVOE01
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 7.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEVOE02
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 6.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEWEV
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 5.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEWEV01
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 5.45
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEWEV02
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 5.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEWEV03
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 5.14
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEWEV04
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 5.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEWEV05
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 5.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEWEV06
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 5.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEWEV07
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 5.15
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEWEV08
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 5.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEWEV09
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 5.03
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEYEX
Authors/Journal
Chemical
Formula: C7 H5 N1 O1,He1
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 4.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGEYEX13
Authors/Journal
Chemical
Formula: C7 H5 N1 O1,He1
Synonym:
Source:
Melting Point:
Colour: colorless
transmitting medium
Experimental
R-Factor (%): 7.46
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGIQAO
Authors/Journal
Authors: Yang-Hui Luo, Bing Xu, Bai-Wang Sun
Chemical
Name: 4-hydroxybenzoic acid 2-hydroxybenzamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EGMCYT10
Authors/Journal
Authors: E.J.O'Brien
Chemical
Name: 9-Ethylguanine-1-methylcytosine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.2
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: EGMFCY10
Authors/Journal
Authors: E.J.O'Brien
Chemical
Formula: C7 H9 N5 O1,C5 H6 F1 N3 O1
Name: 9-Ethylguanine-1-methyl-5-fluorocytosine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 12.9
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: EGUJIB
Authors/Journal
Authors: Wen Yang, Xinxin Ban, Yuanshen Chen, Huange Xu, Bin Huang, Wei
Jiang, Yunqian Dai, Yueming Sun
Journal: Opt.Mater. , 35, 2201, 2013
Chemical
Formula: C38 H24 N2,0.5(C6 H10 O2)
Name: hemikis(hexane-2,5-dione) 2-phenyl-1-(9,9'-spirobi[fluoren]-2-
yl)-1H-benzimidazole
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EHETOD
Authors/Journal
Authors: V.Sharma, G.Kaur, A.Singh, B.Banerjee, V.K.Gupta
Journal: Crystallogr.Rep. , 65, 1195, 2020
Chemical
Name: 1-methyl-1H-indole-2,3-dione 1,3-benzothiazol-2-amine
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.04
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EHOZOT
Authors/Journal
Authors: Sh.Sharma, G.Kour, G.Singh, S.C.Sahoo, R.K.Bamezai
Chemical
Name: bis(4-octylbenzoic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EHUYIQ
Authors/Journal
Authors: J.Abedini, R.Safiei, Z.R.Ranjbar, A.Morsali
Chemical
Name: 4,4'-bi-1,3-thiazole-2,2'-diamine 2,5-bis(4-pyridyl)-3,4-
diaza-2,4-hexadiene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.92
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EJEPOA
Authors/Journal
Authors: Hongyan He, Ying Huang, Qi Zhang, Jian-Rong Wang, Xuefeng Mei
Chemical
Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one
bis(pyrrolidinium-2-carboxylate)
Synonym: Kaempferol bis(L-proline)
Source:
Melting Point:
Colour: yellow
Extra Information: for stereoisomer see [EJERIW]
Experimental
R-Factor (%): 5.35
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EJEPUG
Authors/Journal
Chemical
Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
pyrrolidinium-2-carboxylate
Synonym: luteolin L-proline
Source:
Melting Point:
Colour: yellow
Extra Information: for stereoisomer see [EJEQIV]
Experimental
R-Factor (%): 3.66
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EJEQAN
Authors/Journal
Chemical
Name: 5,7-dihydroxy-2-phenyl-4H-chromen-4-one pyrrolidinium-2-
carboxylate
Synonym: chrysin L-proline
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [EJEQOB]
Experimental
R-Factor (%): 4.54
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EJEQER
Authors/Journal
Chemical
Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
Synonym: genistein bis(L-proline)
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [EJEQUH]
Experimental
R-Factor (%): 4.23
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EJEQIV
Authors/Journal
Chemical
Name: pyrrolidinium-2-carboxylate 2-(3,4-dihydroxyphenyl)-5,7-
dihydroxy-4H-chromen-4-one
Synonym: luteolin D-proline
Source:
Melting Point:
Colour: yellow
Extra Information: for stereoisomer see [EJEPUG]
Experimental
R-Factor (%): 2.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EJEQOB
Authors/Journal
Chemical
Name: pyrrolidinium-2-carboxylate 5,7-dihydroxy-2-phenyl-4H-chromen-
4-one
Synonym: chrysin D-proline
Source:
Melting Point:
Colour: colorless
Extra Information: absolute configuration; for stereoisomer see [EJEQAN]
Experimental
R-Factor (%): 3.23
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EJEQUH
Authors/Journal
Chemical
Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
Synonym: genistein bis(D-proline)
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [EJEQER]
Experimental
R-Factor (%): 4.31
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EJERES
Authors/Journal
Chemical
Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
Synonym: Quercetin bis(L-Proline)
Source:
Melting Point:
Colour: yellow
Extra Information: for stereoisomer see [EJERAO]
Experimental
R-Factor (%): 7.52
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EJORIG
Authors/Journal
Authors: Vyacheslav Y.Sosnovskikh, A.V.Safrygin, R.A.Irgashev,
M.A.Ezhikova, M.I.Kodess
Chemical
Formula: C17 H13 F3 N4,0.5(C4 H8 N2 O2)
Name: N-(6-Phenyl-3-(trifluoromethyl)pyridazin-4-yl)benzene-1,2-
diamine hemikis(N'-acetylacetohydrazide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EJUZEO
Authors/Journal
Authors: B.R.Bhogala, A.Nangia
Chemical
Formula: C9 H12 O6,1.5(C12 H12 N2)
Name: cis,cis-1,3,5-Cyclohexanetricarboxylic acid sesquikis(1,2-
bis(4-pyridyl)ethane)
Synonym:
Source:
Melting Point: 470K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKAZEY
Authors/Journal
Authors: B H Duan, N Liu, B Z Wang, X M Lu
Journal: Journal of Physics: Conference Series , 1507, 22029, 2020
Chemical
Name: 4H,8H-bis[1,2,5]oxadiazolo[3,4-b:3',4'-e]pyrazine
bis(hydrazinecarboxamide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKESAQ01
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 7.75
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKESAQ02
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 7.41
Temperature: 294
Intensity Meas: 3
Disorder:
Extra Information: 5.6GPa; 293.8 K
CCDC Notes:
REFCODE: EKESAQ03
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 11.12
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKESIY01
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.64
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKESIY02
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.64
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKESIY03
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.82
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKESIY04
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 5.97
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKESIY05
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 5.99
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKESIY06
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 7.2
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKESIY07
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 13.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKESIY08
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 8.19
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EKOQAZ
Authors/Journal
Authors: Y.Xia, Y.Wei, H.Chen, S.Qian, J.Zhang, Y.Gao
Chemical
Name: myricetin caffeine
Synonym: 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 3,5,7-
trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ELEGUY
Authors/Journal
Authors: I.Halasz, M.Rubcic, K.Uzarevic, I.Dilovic, E.Mestrovic
Chemical
Name: 4-Oxo-heptane-1,7-dioic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.62
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ELEGUY01
Authors/Journal
Authors: I.Halasz, M.Rubcic, K.Uzarevic, I.Dilovic, E.Mestrovic
Chemical
Name: 4-Oxo-heptane-1,7-dioic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ELOGOE
Authors/Journal
Authors: R.K.Mudsainiyan, A.K.Jassal, S.K.Pandey
Journal: J.Coord.Chem. , 73, 3363, 2020
Chemical
Name: naphthalene-2,6-dicarboxylic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 7.95
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ELUWIU
Authors/Journal
Chemical
Name: bis(hex-5-ynoic acid) 4,4'-(ethane-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.86
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EMAPEP
Authors/Journal
Authors: Z.R.Ranjbar
Chemical
Name: 3-(4-(pyridin-3-yl)buta-1,3-dien-1-yl)pyridine oxalic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.73
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EMAPIT
Authors/Journal
Authors: Z.R.Ranjbar
Chemical
Formula: 2(C12 H10 N4),1.5(C4 H6 O4)
Name: bis(3-(((pyridin-3-ylmethylene)hydrazono)methyl)pyridine)
sesquikis(succinic acid)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.28
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EMEBON
Authors/Journal
Authors: H.Koshima, A.Nakata, M.Nagano, Haitao Yu
Journal: Heterocycles , 60, 2251, 2003
Chemical
Name: 9-Methylbenz(c)acridine diphenylacetic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.07
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EMIQEZ
Authors/Journal
Chemical
Name: bis(pent-4-ynoic acid) 4,4'-(ethane-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.53
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EMOMOI
Authors/Journal
Authors: K.Kiec-Kononowicz, C.E.Muller, E.Pekala, J.Karolak-
Wojciechowska, J.Handzlik, D.Lazewska
Journal: J.Heterocycl.Chem. , 39, 243, 2002
Chemical
Formula: 0.5(C24 H16 Cl1 N3 O2),0.5(C24 H16 Cl1 N3 O2)
Name: Z-2-(4-Chlorobenzylidene)-5,5-diphenyl-2,3,5,6-tetrahydro-
imidazo(2,1-b)imidazoline-3,6-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.99
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x(Cl2) should probably be -0.785 (not 0.0163); both tautomers
are present in the crystal
REFCODE: EMONAW
Authors/Journal
Authors: C.Dallanoce, P.Magrone, C.Matera, L.Lo Presti, M.De Amici,
L.Riganti, F.Clementi, C.Gotti, C.De Micheli
Journal: Eur.J.Med.Chem. , 45, 5594, 2010
Chemical
Formula: C7 H11 Br1 N2 O1,C4 H4 O4
Name: 3-Bromo-5-(pyrrolidin-2-yl)-4,5-dihydro-1,2-oxazole fumaric
acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.49
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: twin; at 293 K
CCDC Notes:
REFCODE: ENAGEG
Authors/Journal
Authors: K.S.Eccles, C.J.Elcoate, S.P.Stokes, A.R.Maguire, S.E.Lawrence
Chemical
Formula: C12 H10 O1 S1,C7 H13 N1 S1
Name: Cyclohexanecarbothioamide 1,1'-sulfinyldibenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ENEPOE
Authors/Journal
Authors: S.Saha, G.R.Desiraju
Chemical
Formula: C7 H4 I2 O3,0.5(C4 H4 N2)
Name: 2-Hydroxy-3,5-diiodobenzoic acid hemikis(pyrazine)
Synonym: 3,5-Diiodosalicylic acid hemikis(pyrazine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ENICEK
Authors/Journal
Authors: M.L.Cheney, D.R.Weyna, N.Shan, M.Hanna, L.Wojtas,
M.J.Zaworotko
Chemical
benzothiazine-3-carboxamide 1,1-dioxide 2-hydroxybenzoic acid
Synonym: meloxicam 2-hydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information: meloxicam is a nonsteroidal anti-inflammatory drug
Experimental
R-Factor (%): 4.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ENICOU01
Authors/Journal
Authors: S.A.Myz, T.P.Shakhtshneider, N.A.Tumanov, E.V.Boldyreva
Journal: Izv.Akad.Nauk SSSR,Ser.Khim.(Russ.)(Russ.Chem.Bull.) , , 1782,
2012
Chemical
Name: bis(4-Hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-
benzothiazine-3-carboxamide 1,1-dioxide) succinic acid
Synonym: bis(Meloxicam) succinic acid
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ENIJUJ
Authors/Journal
Chemical
Name: 4,4'-(ethene-1,2-diyl)dipyridine bis(fumaric acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.12
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ENIKIY
Authors/Journal
Chemical
Name: 4,4'-(ethene-1,2-diyl)dipyridine bis(hex-5-ynoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.04
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ENIKOE
Authors/Journal
Chemical
Name: 4,4'-(ethene-1,2-diyl)dipyridine bis(pent-4-ynoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.85
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EPAJUD
Authors/Journal
Authors: S.Debnath, S.Mondal
Journal: SynOpen , 3, 11, 2019
Chemical
Name: 3,10-dimethyl-5-phenothiazine-5,5(10H)-dione 10-ethyl-3-
methyl-5-phenothiazine-5,5(10H)-dione
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.92
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes: One of the molecules is partially modelled
REFCODE: EPAQES
Authors/Journal
Authors: S.Z.Kusov, Yu.V.Gatilov, I.Yu.Bagryanskaya, G.V.Romanenko,
T.A.Vaganova, I.K.Shundrina, E.V.Malykhin
2010
Chemical
Formula: C12 H24 O6,C6 H4 F4 N2
Name: 2,3,5,6-Tetrafluorobenzene-1,4-diamine 1,4,7,10,13,16-
hexaoxacyclooctadecane
Synonym:
Source:
Colour: light
Extra Information:
Experimental
R-Factor (%): 4.32
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EPAQIW
Authors/Journal
Authors: S.Z.Kusov, Yu.V.Gatilov, I.Yu.Bagryanskaya, G.V.Romanenko,
T.A.Vaganova, I.K.Shundrina, E.V.Malykhin
2010
Chemical
Name: 2,4,5,6-Tetrafluorobenzene-1,3-diamine 1,4,7,10,13,16-
hexaoxacyclooctadecane
Synonym:
Source:
Colour: light
Extra Information:
Experimental
R-Factor (%): 9.16
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EPUFED
Authors/Journal
Authors: Xingjun Gao, Yuting Zhang, Qianqian Xie, Weiqiang Xu, Shouwen
Jin, Qingqing Ye, Yi Yu, Bin Chen, Hui Liu, Daqi Wang
Chemical
Name: bis(1,3-thiazol-2-amine) cyclohexane-1,4-dicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EPUSIT
Authors/Journal
Authors: I.V.Galkina, L.M.Yusupova, A.T.Gubaidullin, V.I.Galkin
Chemical
Formula: C6 H1 Cl1 N4 O7,C4 H5 N3
Name: 7-chloro-4,6-dinitro-2,1,3-benzoxadiazol-5-ol 1-oxide
pyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.15
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EPUSOZ
Authors/Journal
Authors: A.N.Manin, A.P.Voronin, N.G.Manin, M.V.Vener, A.V.Shishkina,
A.S.Lermontov, G.L.Perlovich
Chemical
Name: 4-acetamidobenzoic acid salicylamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.77
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EQISIH
Authors/Journal
Authors: A.Zulfiya, Fang-Hua Zhao, Yun-Xia Che
Chemical
Name: 2-Hydroxy-3,5-dinitrobenzoic acid 3-methyl-4-nitro-1lambda$5!-
pyridin-1-ol
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 5.98
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EQISON
Authors/Journal
Authors: A.Zulfiya, Fang-Hua Zhao, Yun-Xia Che
Chemical
Name: 2-Nitrobenzoic acid 3-methyl-4-nitro-1lambda$5!-pyridin-1-ol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.32
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ERAGOW
Authors/Journal
Authors: Yuting Zhang, Xingjun Gao, Wei Fang, Bin Liu, Shouwen Jin,
Daqi Wang, Weiqiang Xu
Chemical
Name: bis(pyridine-4-carboxamide) octanedioic acid
Synonym: bis(isonicotinamide) suberic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ERAHAJ
Authors/Journal
Chemical
Name: pyridine-4-carboxamide 2,2'-(1,2-phenylene)diacetic acid
Synonym: isonicotinamide 1,2-phenylenediacetate
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.67
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ERAHIR
Authors/Journal
Chemical
Name: tetrakis(pyridine-4-carboxamide) butane-1,2,3,4-
tetracarboxylic acid
Synonym: tetrakis(isonicotinamide) butane-1,2,3,4-tetracarboxylic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.48
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ERAVAU
Authors/Journal
Authors: M.A.S.Goher, F.A.Mautner, T.C.W.Mak, M.A.M.Abu-Youssef
Chemical
Name: 1-Isoquinolinecarboxylic acid L-ascorbic acid
Synonym: 1-Isoquinolinecarboxylic acid Vitamin C
Source:
Melting Point:
Colour: yellow
Extra Information: Vitamin C is a cofactor in enzymatic reactions
Experimental
R-Factor (%): 4.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ERELIZ
Authors/Journal
Chemical
Name: methyl 3-(pyridin-4-yl)prop-2-enoate thiourea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ERELOF
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.42
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ERIKUL
Authors/Journal
Authors: M.Periasamy, S.Sivakumar, M.N.Reddy, M.Padmaja
Chemical
Name: (S,S)-1,2-Dipyrrolylcyclohexane fumaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.49
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ERIWUY
Authors/Journal
Authors: Hai-Sheng Chang, Jian-Li Lin
Chemical
Name: bis(Urea) hexanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ESATUN
Authors/Journal
Authors: L.S.Reddy, A.Nangia, V.M.Lynch
Chemical
Formula: C7 H7 N1 O1,C7 H1 F5 O2
Name: Benzamide pentafluorobenzoic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ESAWOK
Authors/Journal
Authors: R.Kuroda, Y.Imai, T.Sato
Chemical
Formula: C20 H12 Br2 O2,C6 H4 O2
Name: (R)-6,6'-Dibromo-1,1'-bi-2-naphthol p-benzoquinone
Synonym:
Source:
Melting Point:
Colour: red
Extra Information: for racemate see [ESAWUQ]; air-sensitive
Experimental
R-Factor (%): 4.42
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ESAWON
Authors/Journal
Authors: Soumen Singha, R.Jana, R.Mondal, P.P.Ray, P.P.Bag, K.Gupta,
N.Pakhira, C.Rizzoli, A.Mallick, S.Kumar, R.Saha
Chemical
Name: 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid quinoxaline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ESOURE10
Authors/Journal
Authors: W.L.Duax
1864, 1972
Chemical
Name: Estradiol-urea
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ETABFU
Authors/Journal
Authors: K.Tomita, L.Katz, A.Rich
Chemical
Formula: C7 H9 N5,C5 H5 F1 N2 O2
Name: 9-Ethyladenine-1-methyl-5-fluorouracil
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 17.8
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ETATOL
Authors/Journal
Authors: Wen-Xue Wang, Fang Liu, Jin-Yang Li, Jie Xue, Yan-Tuan Li,
Ren-Min Liu
Chemical
Name: 5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one 2-
ethylpyridine-4-carbothioamide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.42
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ETFTCQ
Authors/Journal
Authors: J.L.Galigne, J.M.Fabre, L.Giral
3827, 1977
Chemical
Formula: C14 H20 S4,2(C12 H4 N4)
Name: 4,4',5,5'-Tetraethyl-tetrathiofulvalene bis(7,7,8,8-
tetracyanoquinodimethane)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: EDITORIAL Z VALUE. Z COORDINATE OF ATOM N3 CHANGED FROM 0.1402
TO - 0.1402. X COORDINATE OF ATOM H160 CHANGED FROM -0.132 TO 0.132
REFCODE: ETHBME
Authors/Journal
Authors: P.Andersen, T.Thurmann-Moe
Chemical
Formula: C1 H1 Br1 Cl2,C4 H10 O1
Name: Diethylether-bromodichloromethane complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 17.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ETONIM
Authors/Journal
Authors: S.Ketkar, S.K.Pagire, N.Rajesh Goud, K.Mahadik, Ashwini
Nangia, A.Paradkar
Chemical
Name: 2-phenylethyl 3-(3,4-dihydroxyphenyl)acrylate nicotinamide
Synonym: Caffeic acid phenethyl ester nicotinamide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ETOYAP
Authors/Journal
Authors: V.Nemec, K.Lisac, V.Stilinovic, D.Cincic
Chemical
Formula: C6 H7 N1 O1,Br2
Name: 4-methoxypyridine dibromine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 9.74
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EVAMIX
Authors/Journal
Authors: M.T.Cocco, C.Congiu, V.Onnis, S.Ianelli
Chemical
Formula: C13 H16 N4 O3 S1,H1 Br1
Name: ethyl 4-amino-3-benzoylamino-2,3-dihydro-2-iminothiazole-5-
carboxylate hydrobromide
Synonym:
Source:
Melting Point: 260 deg.C(dec.)
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EVANAR
Authors/Journal
Authors: Gao-Xiang Meng, Hao Ding, Ya-Min Feng, Jian-Hui Zhu, He-Lin
Yang
Chemical
Name: Benzene-1,3,5-tricarboxylic acid 5-(pyridin-1-ium-3-yl)-5H-
1,2,3,4-tetrazolide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.75
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EVAXUV
Authors/Journal
Authors: Ruitao Zhu, Haoyang Li, Yuewen Zhang
Chemical
Name: 4-(Dimethylamino)benzaldehyde 2,4-dinitroaniline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.81
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EVEREE05
Authors/Journal
Authors: K.M.Hutchins, K.A.Kummer, R.H.Groeneman, E.W.Reinheimer,
M.A.Sinnwell, D.C.Swenson, L.R.MacGillivray
Chemical
Name: 4,6-dichlorobenzene-1,3-diol 4,4'-diazene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: red orange
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EVEROO05
Authors/Journal
Chemical
Name: 4,6-dibromobenzene-1,3-diol 4,4'-diazene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: yellowish orange
Extra Information:
Experimental
R-Factor (%): 2.39
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EVESAB05
Authors/Journal
Chemical
Name: 4,6-diiodobenzene-1,3-diol 4,4'-diazene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: orange yellow
Extra Information:
Experimental
R-Factor (%): 2.35
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EVETAB
Authors/Journal
Authors: Wei Xu, Wen-xiang Huang, Hong-yan Chen
Chemical
Name: Heptanedioic acid bis(urea)
Synonym: Pimelic acid bis(urea)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EVEXUZ
Authors/Journal
Authors: Yan-Ru Tang
Chemical
Name: (E)-N'-[1-(2-Hydroxyphenyl)ethylidene]-2-phenoxyacetohydrazide
2,2'-(hydrazine-1,2-diylidenedieth-1-yl-1-ylidene)diphenol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EVEZOV
Authors/Journal
Authors: Chunhua Ge, Rui Zhang, Xiangdong Zhang, Su Li
Chemical
Name: 4,4'-Cyclohexane-1,1-diyldiphenol 1-benzyl-2-phenyl-1H-
benzimidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EVIRIK
Authors/Journal
Authors: M.G.Vinogradov, L.S.Gorshkova, G.V.Chel'tsova, D.V.Kurilov,
V.A.Ferapontova, O.V.Shishkin, G.L.Hase
2003
Chemical
Formula: C33 H32 O4,0.5(C6 H14 O3)
Name: 2,3-bis(Hydroxydiphenylmethyl)-1,4-dioxaspiro(4.4)nonane
hemikis(diglyme)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EVOJIK
Authors/Journal
Authors: E.Arockia Jeya Yasmi Prabha, S.Suresh Kumar, S.Athimoolam,
B.Sridhar
Chemical
Name: nicotinic acid pyrogallol
Synonym: pyridin-1-ium-3-carboxylate benzene-1,2,3-triol
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWAYEJ
Authors/Journal
M.Sukhov, B.A.Zakharov, E.V.Boldyreva, E.V.Malykhin
Chemical
Formula: C12 H24 O6,2(C7 H4 F3 N3)
Name: bis(2,4-diamino-3,5,6-trifluorobenzonitrile) 18-crown-6
Synonym:
Source:
Colour: white
Extra Information:
Experimental
R-Factor (%): 40.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: This low-resolution isotropic crystal structure model was used
as a starting model for further crystal structure optimization by computational
techniques
REFCODE: EWAYUY
Authors/Journal
Authors: X.Zhou, X.Hu, S.Wu, J.Ye, M.Sun, J.Gu, J.Zhu, Z.Zhang
723, 2016
Chemical
Formula: C18 H22 N2 S1,0.5(H1 Cl1)
Name: 1-(2-((2,4-dimethylphenyl)sulfanyl)phenyl)piperazine
hemikis(hydrochloride)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.7
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWAZEJ
Authors/Journal
Authors: X.Zhou, X.Hu, S.Wu, J.Ye, M.Sun, J.Gu, J.Zhu, Z.Zhang
723, 2016
Chemical
Formula: C18 H22 N2 S1,0.5(H1 Br1)
Name: 1-(2-((2,4-dimethylphenyl)sulfanyl)phenyl)piperazine
hemikis(hydrobromide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.23
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWAZIO
Authors/Journal
M.Sukhov, B.A.Zakharov, E.V.Boldyreva, E.V.Malykhin
Chemical
Name: 2,4-diamino-3,5-difluorobenzonitrile 18-crown-6
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 14.55
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWIJUR
Authors/Journal
Authors: A.Bacchi, D.Capucci, M.Giannetto, M.Mattarozzi, P.Pelagatti,
N.Rodriguez-Hornedo, K.Rubini, A.Sala
Chemical
Name: bis(2,6-diisopropylphenol) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWIKIH
Authors/Journal
Authors: Chen Wang, Zi Xin You, Yong-Heng Xing, Feng-Ying Bai, Zhan Shi
Chemical
Formula: 2(C26 H14 N6 O6),C14 H10
Name: bis(N,N'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn]
[3,8]phenanthroline-2,7-diyl)bis(pyridine-4-carboxamide)) 4,8-
dihydrocyclopenta[def]fluorene
Synonym:
Source:
Melting Point:
Colour: light red
Extra Information:
Experimental
R-Factor (%): 5.78
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWIKOM
Authors/Journal
Authors: Guangfeng Liu, Jie Liu, Xin Ye, Lina Nie, Peiyang Gu, Xutang
Tao, Qichun Zhang
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile coronene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWIKOM01
Authors/Journal
Authors: Guangfeng Liu, Jie Liu, Xin Ye, Lina Nie, Peiyang Gu, Xutang
Tao, Qichun Zhang
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile coronene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.81
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWIKON
Authors/Journal
Chemical
Formula: 2(C9 H4 I2 O6),C10 H8 N2
Name: bis(2,4-di-iodobenzene-1,3,5-tricarboxylic acid) 4,4'-
bipyridine
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWIKUT
Authors/Journal
Chemical
Formula: 2(C9 H3 I3 O6),C10 H8 N2
Name: bis(2,4,6-tri-iodobenzene-1,3,5-tricarboxylic acid) 4,4'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.41
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWOGIG
Authors/Journal
Authors: T.Caronna, R.Liantonio, T.A.Logothetis, P.Metrangolo,
T.Pilati, G.Resnati
Chemical
Formula: C29 H8 F16 I4 O4,2(C2 H8 N2)
Name: tetrakis(2,3,5,6-Tetrafluoro-4-iodophenoxymethyl)methane
bis(1,2-diaminoethane)
Synonym: Pentaerythritoltetrakis(2,3,5,6-tetrafluoro-4-iodophenyl)
ether bis(1,2-diaminoethane)
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: The ratio of molecules in the cocrystal is 1:2, not 2:1 as
stated
REFCODE: EWOXEV
Authors/Journal
Authors: R.Ramakrishnan, A.R.Mallia, M.A.Niyas, R.Sethy, M.Hariharan
Chemical
Formula: C24 H16 N2,0.5(C6 F4 I2)
Name: 4-(9-phenanthryl)-2,2'-bipyridine hemikis(1,2,4,5-tetrafluoro-
3,6-diiodobenzene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.69
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWOXIZ
Authors/Journal
Chemical
Name: 4-phenyl-2,2'-bipyridine 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.58
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWOXIZ01
Authors/Journal
Chemical
Name: 4-phenyl-2,2'-bipyridine 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.73
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWOXUL
Authors/Journal
Chemical
Formula: 3(C20 H14 N2),2(C6 F4 I2)
Name: tris(4-(2-naphthyl)-2,2'-bipyridine) bis(1,2,4,5-tetrafluoro-
3,6-diiodobenzene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.46
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWOZIZ
Authors/Journal
Authors: M.Alagar, M.S.Nandhini, R.V.Krishnakumar, K.Ravikumar,
S.Natarajan
Chemical
Name: bis(DL-Valine) succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EWUYOL
Authors/Journal
Authors: A.Esparza-Ruiz, A.Pena-Hueso, E.Mijangos, G.Osorio-Monreal,
H.Noth, A.Flores-Parra, R.Contreras, N.Barba-Behrens
Chemical
Name: Methyl 2-amino-1H-benzimidazole-1-carbodithioate 1H-
benzimidazol-2-amine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXAMOI
Authors/Journal
Authors: Haoran Wang, Qiyao Li, Jianyu Zhang, Haoke Zhang?, Yuanhong
Shu, Zheng Zhao, Wei Jiang, Lili Du, D.L.Phillips, J.W.Y.Lam, H.H.Y.Sung,
I.D.Williams, Ran Lu, Ben Zhong Tang
Chemical
Formula: C15 H10 F1 N1 O1,C10 H2 N4
Name: 2-[2-(4-fluorophenyl)ethenyl]-1,3-benzoxazole benzene-1,2,4,5-
tetracarbonitrile
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXAMUM
Authors/Journal
Authors: S.Ghosh, P.P.Bag, C.M.Reddy
Chemical
Name: 4-amino-N-(4,6-dimethylpyrimidinium-2-yl)benzenesulfonamidate
4-hydroxybenzoic acid
Synonym: Sulfamethazine 4-hydroxybenzoic acid; Sulfadimidine 4-
hydroxybenzoic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXANAT
Authors/Journal
Chemical
Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide 2,4-
dihydroxybenzoic acid
Synonym: Sulfamethazine 2,4-dihydroxybenzoic acid; Sulfadimidine 2,4-
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.95
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXANEX
Authors/Journal
Chemical
Formula: C12 H14 N4 O2 S1,C7 H4 Cl2 O2
Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide 3,4-
dichlorobenzoic acid
Synonym: Sulfamethazine 3,4-dichlorobenzoic acid; Sulfadimidine 3,4-
dichlorobenzoic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.11
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXANIB
Authors/Journal
Chemical
Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide hexa-
2,4-dienoic acid
Synonym: Sulfamethazine sorbic acid; Sulfadimidine sorbic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXAPAV
Authors/Journal
Chemical
benzamide
Synonym: Sulfamethazine benzamide; Sulfadimidine benzamide
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.6
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXAPEZ
Authors/Journal
Chemical
picolinamide
Synonym: Sulfamethazine picolinamide; Sulfadimidine picolinamide
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXAPID
Authors/Journal
Chemical
4-hydroxybenzamide
Synonym: Sulfamethazine 4-hydroxybenzamide; Sulfadimidine 4-
hydroxybenzamide
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXAPID01
Authors/Journal
Chemical
4-hydroxybenzamide
Synonym: Sulfamethazine 4-hydroxybenzamide; Sulfadimidine 4-
hydroxybenzamide; PDB Chemical Component code: HBD
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.61
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXEJOH
Authors/Journal
Authors: Jian Lu, Li-Wei Han, Jing-Xiang Lin, Rong Cao
Chemical
Name: 4,4'-Methylenebis(2,6-dibromophenol) 1,3,5,7-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.64
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXEJUN
Authors/Journal
Authors: Jian Lu, Li-Wei Han, Jing-Xiang Lin, Rong Cao
Chemical
Name: 4,4'-Propane-2,2-diylbis(2,6-dibromophenol) 1,3,5,7-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXEYIQ
Authors/Journal
Chemical
Formula: C9 H8 O2,C5 H6 Cl1 N3
Name: 4-chloro-6-methylpyrimidin-2-amine 3-phenylacrylic acid
Synonym: 4-chloro-6-methylpyrimidin-2-amine cinnamic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXEYOW
Authors/Journal
Chemical
Name: 4-Chloro-6-methylpyrimidin-2-amine benzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXEYUC
Authors/Journal
Chemical
Formula: C7 H5 N1 O4,C5 H6 Cl1 N3
Name: 4-chloro-6-methylpyrimidin-2-amine 4-nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.14
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXEZEN
Authors/Journal
Chemical
Name: 4-chloro-6-methylpyrimidin-2-amine 2-chlorobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXEZIR
Authors/Journal
Chemical
Name: 4-chloro-6-methylpyrimidin-2-amine 2-methylbenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXEZOX
Authors/Journal
Chemical
Name: 4-chloro-6-methylpyrimidin-2-amine 3-methylbenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXEZUD
Authors/Journal
Chemical
Name: 4-chloro-6-methylpyrimidin-2-amine 3-nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXIBAP
Authors/Journal
Chemical
Name: 4-chloro-6-methylpyrimidin-2-amine 4-chlorobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXIBET
Authors/Journal
Chemical
Name: 4-chloro-6-methylpyrimidin-2-amine 4-methoxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXIBIX
Authors/Journal
Chemical
Name: 4,6-dimethylpyrimidin-2-amine 2-chlorobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXIBOD
Authors/Journal
Chemical
Name: 4,6-dimethylpyrimidin-2-amine 2-methylbenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXIBUJ
Authors/Journal
Chemical
Name: 4,6-dimethylpyrimidin-2-amine 3-methylbenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.98
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXICAQ
Authors/Journal
Chemical
Name: 4,6-dimethylpyrimidin-2-amine 3-nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXICEU
Authors/Journal
Chemical
Name: 4,6-dimethylpyrimidin-2-amine 4-chlorobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXICIY
Authors/Journal
Chemical
Name: 4,6-dimethylpyrimidin-2-amine 4-nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXIFAT
Authors/Journal
Authors: Baoming Ji, Weizhou Wang, Dongsheng Deng, Yu Zhang
Chemical
Name: 5H-Pyrido[3',2':4,5]cyclopenta[1,2-b]pyridin-5-one 1,2,4,5-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.5
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXIFEX
Authors/Journal
Chemical
Name: 1,10-Phenanthroline-5,6-dione 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 2.67
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXIFIB
Authors/Journal
Chemical
Name: 1,2,4,5-Tetrafluoro-3,6-diiodobenzene 4,4',6,6'-tetramethyl-
2,2'-bipyrimidine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 1.83
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXIMOO
Authors/Journal
Authors: Miao-Ling Huang
Chemical
Formula: C14 H13 N1 O4 S1,0.5(C10 H8 N2)
Name: 4-(((4-Methylphenyl)sulfonyl)amino)benzoic acid hemikis(4,4'-
bipyridine)
Synonym: 4-(p-toluenesulfonamido)benzoic acid hemikis(4,4'-bipyridine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXISUC
Authors/Journal
Authors: M.Rajkumar
Chemical
Name: naphthalene-1,3-diol bis(acridine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.03
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXIZUH
Authors/Journal
Authors: Yichao Xu, Shouwen Jin, Jianlong Zhu, Ying-Jia Liu, Chuan-
Chuan Shi
Chemical
Name: 2-Hydroxy-5-(phenyldiazenyl)benzoic acid 3,5-dimethyl-1H-
pyrazole
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.01
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXOJOT
Authors/Journal
Authors: A.A.Espenbetov, Yu.T.Struchkov, N.Yu.Kuz'mina, G.S.Litvinenko
Journal: Izv.Akad.Nauk SSSR,Ser.Khim.(Russ.)(Russ.Chem.Bull.) , 37,
922, 1988
Chemical
Name: 1-benzoyl-2-methyldecahydroquinolin-5-yl benzoate benzoic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EXUKAJ
Authors/Journal
Authors: K.A.Al-Farhan
Chemical
Formula: C11 H8 O2,C18 H15 O1 P1
Name: Triphenylphosphine oxide 1-naphthoic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EYUGAI
Authors/Journal
Authors: Jia Xu, Yuting Huang, Sida Ruan, Zongliang Chi, Kunming Qin,
Baochang Cai, Ting Cai
Chemical
Name: nicotinamide 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-
2-en-1-one
Synonym: isoliquiritigenin nicotinamide
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 13.14
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EYURIC
Authors/Journal
Authors: P.Deka, D.Gogoi, K.Althubeiti, D.R.Rao, R.Thakuria
Chemical
Name: 4-hydroxybenzoic acid 6-fluoro-3-hydroxypyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EYUROI
Authors/Journal
Chemical
Name: 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid 6-fluoro-3-
hydroxypyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.96
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EYUSEZ
Authors/Journal
Chemical
Name: 4-aminobenzoic acid 6-fluoro-3-hydroxypyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.62
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EZAQED
Authors/Journal
Authors: Jia Xu, Yuting Huang, Sida Ruan, Zongliang Chi, Kunming Qin,
Baochang Cai, Ting Cai
Chemical
Name: 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
isonicotinamide
Synonym: isoliquiritigenin isonicotinamide
Source:
Colour: yellow
Extra Information: Isoliquiritigenin has been investigated for its antioxidative,
anti-inflammatory, estrogenic, chemopreventive, and antitumor activities
Experimental
R-Factor (%): 7.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EZAQEE
Authors/Journal
Authors: Di Wu, Bei Zhang, Qichao Yao, Baohong Hou, Lina Zhou, Chuang
Xie, Junbo Gong, HongXun Hao, Wei Chen
Chemical
Name: 3-nitrobenzoic acid 4,6-dimethoxypyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EZAQII
Authors/Journal
Chemical
Name: bis(4,6-dimethoxypyrimidin-2-amine) but-2-enedioic acid
Synonym: bis(2-amino-4,6-dimethoxypyrimidine) fumaric acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.03
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EZAQOO
Authors/Journal
Chemical
Name: bis(4,6-dimethoxypyrimidin-2-amine) butanedioic acid
Synonym: bis(2-amino-4,6-dimethoxypyrimidine) succinic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EZEDEV
Authors/Journal
Authors: P.K.Verma, N.K.Meher, K.Geetharani
Chemical
Name: N,N'-(ethene-1,2-diyl)bis{N-[2,6-bis(propan-2-
yl)phenyl]acetamide} bis(benzene-1,2-diol)
Synonym: N,N'-(ethene-1,2-diyl)bis{N-[2,6-bis(propan-2-
yl)phenyl]acetamide} bis(catechol)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.67
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EZEJOK
Authors/Journal
Authors: Yu-Nan Zhang, He-Mei Yin, Yu Zhang, Da-Jun Zhang, Xin Su, Hai-
Xue Kuang
Chemical
Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one 4,4'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EZIDOH
Authors/Journal
Chemical
Formula: C17 H13 Cl1 N4,C7 H7 N1 O2
[1,4]benzodiazepine 4-aminobenzoic acid
Synonym: Alprazolam 4-aminobenzoic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.32
Temperature: 301
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EZIDUN
Authors/Journal
Chemical
Formula: C17 H13 Cl1 N4,C7 H4 F2 O2
[1,4]benzodiazepine 2,6-difluorobenzoic acid
Synonym: Alprazolam 2,6-difluorobenzoic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.22
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EZIFAV
Authors/Journal
Chemical
Formula: C17 H13 Cl1 N4,C7 H4 F2 O2
[1,4]benzodiazepine 3,5-difluorobenzoic acid
Synonym: Alprazolam 3,5-difluorobenzoic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 7.43
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: EZIFID
Authors/Journal
Chemical
[1,4]benzodiazepine benzoic acid
Synonym: Alprazolam benzoic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.95
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FABWAK
Authors/Journal
Authors: Huizhen Li, Ruirui Wang, Jiaxin Kang, Shujun Li, Ai-Ju Zhou,
Dong-xue Han, Hong-Yu Guan, D.J.Austin, Yanfeng Yue
Chemical
Formula: C12 H24 O6,2(C2 H14 B2 N2)
Name: bis([(ethylamino)boranyl]aminoborane) (18-crown-6)
Synonym: bis[(mu-amino)-(ethylamino)-pentahydrido-di-boron] (18-crown-
6)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.57
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FADCES
Authors/Journal
Authors: W.T.Pennington, A.O.Patil, D.Y.Curtin, I.C.Paul
Chemical
Name: 2,3,5,6-Tetramethyl-1,4-benzoquinone 2,3,5,6-tetramethyl-1,4-
hydroquinone
Synonym: Duroquinhydrone 2,3,5,6-tetramethyl-1,4-hydroquinone
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: C1-C2 should be 1.488 not 1.448
REFCODE: FADCIW
Authors/Journal
Authors: W.T.Pennington, A.O.Patil, D.Y.Curtin, I.C.Paul
Chemical
Name: 2,3,5,6-Tetramethyl-1,4-benzoquinone bis(hydroquinone)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FADGIC
Authors/Journal
Authors: A.Lemmerer, J.Bernstein, V.Kahlenberg
Chemical
Name: bis(Isonicotinic acid hydrazide) succinic acid
Synonym: bis(Isonicotinohydrazide) succinic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.35
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FADGIC02
Authors/Journal
Authors: S.Cherukuvada, A.Nangia
Chemical
Name: bis(Isonicotinohydrazide) succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.86
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAFGOL02
Authors/Journal
Authors: M.-J.Lee, S.Aitipamula, G.J.Choi, P.S.Chow
969, 2019
Chemical
Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide benzene-1,4-
diol
Synonym: agomelatine hydroquinone
Source:
Melting Point:
Colour:
Extra Information: agomelatine is an antidepressant drug
Experimental
R-Factor (%): 4.6
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAFGOL03
Authors/Journal
Authors: M.-J.Lee, S.Aitipamula, G.J.Choi, P.S.Chow
969, 2019
Chemical
Name: N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide benzene-1,4-
diol
Synonym: agomelatine hydroquinone
Source:
Melting Point:
Colour: colorless
Extra Information: Solvent evaporation; agomelatine is an antidepressant drug
Experimental
R-Factor (%): 4.85
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAFHEC
Authors/Journal
Authors: R.Prohens, R.Barbas, A.Portell, M.Font-Bardia, X.Alcobe,
C.Puigjaner
Chemical
Name: bis(N-(2-(7-methoxy-1-naphthyl)ethyl)acetamide) ethanedioate
Synonym: Agomelatine oxalic acid cocrystal
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.41
Temperature: 302
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAFSIO
Authors/Journal
Authors: J.-C.Wallet, E.Molins, C.Miravitlles
Journal: J.Phys.Org.Chem. , 11, 751, 1998
Chemical
Name: 2',6'-Dimethoxyflavone 2,6-dimethoxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.17
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FAFTAH
Authors/Journal
Authors: Dai Bochuan, Pan Wenyu, Xu Tongde, Cheng Jiangzhong, Li
Songxian
Journal: Fuzhou Daxue Xuebao,Ziran Kexueban(Chin.)(J.Fuzhou
Univ.Nat.Sci.Ed.) , 23, 89, 1995
Chemical
Name: 3-Methyl-4-nitropyridine-1-oxide 3,5-dinitrobenzoic acid
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x coordinate of O2 should probably be 0.0532 (not 0.5323)
REFCODE: FAGJUW
Authors/Journal
Authors: S.G.Dash, T.S.Thakur
Chemical
Name: 2-(10-oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoic acid
Synonym: zaltoprofen nicotinamide
Source:
Melting Point:
Colour: colorless
Extra Information: zaltoprofen is a non-steroidal anti-inflammatory drug
Experimental
R-Factor (%): 7.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAGKUX
Authors/Journal
Authors: S.G.Dash, T.S.Thakur
Chemical
Formula: C17 H14 O3 S1,0.5(C10 H8 N2)
Name: 2-(10-oxo-10,11-dihydrodibenzo[b,f]thiepin-2-yl)propanoic acid
Synonym: zaltoprofen hemikis(4,4'-bipyridine)
Source:
Melting Point:
Colour: colorless
Extra Information: zaltoprofen is a non-steroidal anti-inflammatory drug
Experimental
R-Factor (%): 7.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAHLEF01
Authors/Journal
Authors: T.Mori, H.Inokuchi
Chemical
Name: bis(Ethylenedithiolo)-tetrathiafulvalene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FAHLEF02
Authors/Journal
Authors: H.M.Yamamoto, M.Hagiwara, R.Kato
Chemical
Name: bis(Ethylenedithio)tetrathiafulvalene
tetracycanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.24
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Temperature is given as 546.4 K in the cif. The cell
parameters given in the paper are a= 7.118(2), b= 20.323(8), c= 4.105, alpha=
92.10(30, beta= 90.79(2), gamma= 84.72(3) and v= 590.8
REFCODE: FAJPUB
Authors/Journal
Authors: F.H.Herbstein, P.Ashkenazi, M.Kaftory, M.Kapon, G.M.Reisner,
D.Ginsburg
Chemical
Formula: C7 H10 I2 S2,I2
Name: Dithia(3.3.1)propellane bis(iodine)
Synonym:
Source:
Melting Point:
Colour: deep red
Extra Information:
Experimental
R-Factor (%): 6.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FAJRAJ
Authors/Journal
Authors: F.H.Herbstein, P.Ashkenazi, M.Kaftory, M.Kapon, G.M.Reisner,
D.Ginsburg
Chemical
Formula: C8 H12 I2 S2,I2
Name: Dithia(3.3.2)propellane bis(iodine)
Synonym:
Source:
Melting Point:
Colour: deep red
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FAKJOS
Authors/Journal
Authors: N.A.Tumanov, S.A.Myz, T.P.Shakhtshneider, E.V.Boldyreva
Chemical
Name: Hexanedioic acid 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-
yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
Synonym: Meloxicam hemikis(hexandioic acid)
Source:
Melting Point:
Colour: colorless
Extra Information: meloxicam is a nonsteroidal anti-inflammatory drug
Experimental
R-Factor (%): 4.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAKJUY
Authors/Journal
Authors: N.A.Tumanov, S.A.Myz, T.P.Shakhtshneider, E.V.Boldyreva
Chemical
Name: Terephthalic acid 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-
2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide
Synonym: Meloxicam hemikis(terephthalic acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.32
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAKQUF
Authors/Journal
Authors: G.Bruni, M.Maietta, V.Berbenni, M.Bini, S.Ferrari, D.Capsoni,
M.Boiocchi, C.Milanese, A.Marini
Chemical
Name: 2-(6-Chloro-9H-carbazol-2-yl)propanoic acid 4,4'-bipyridine
Synonym: Carprofen 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information: Carprofen is a non-steroidal anti-inflammatory drug (NSAID)
used in veterinary medicine
Experimental
R-Factor (%): 13.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAKQUF01
Authors/Journal
Chemical
Name: 2-(6-Chloro-9H-carbazol-2-yl)propanoic acid 4,4'-bipyridine
Synonym: Carprofen 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAKRAM
Authors/Journal
Chemical
Name: 2-(6-Chloro-9H-carbazol-2-yl)propanoic acid hemikis(4,4'-
bipyridine)
Synonym: Carprofen hemikis(4,4'-bipyridine)
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAQWUS
Authors/Journal
Authors: S.Kumar N., V.Tekuri, D.R.Trivedi
Chemical
Formula: C14 H10 F3 N1 O2,C7 H4 Cl1 N1 O4
Name: 2-((3-(trifluoromethyl)phenyl)amino)benzoic acid 2-chloro-4-
nitrobenzoic acid
Synonym: flufenamic acid 2-chloro-4-nitrobenzoic acid
Source:
Melting Point:
Colour: orange
Extra Information: flufenamic acid is an anti-inflammatory drug
Experimental
R-Factor (%): 6.7
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAQXAZ
Authors/Journal
Authors: S.Kumar N., V.Tekuri, D.R.Trivedi
Chemical
Formula: C14 H10 F3 N1 O2,C9 H11 N1 O2
Name: 2-((3-(trifluoromethyl)phenyl)amino)benzoic acid 2-
ethoxybenzamide
Synonym: flufenamic acid ethenzamide
Source:
Melting Point:
Colour: colorless
Extra Information: flufenamic acid is an anti-inflammatory drug
Experimental
R-Factor (%): 6.67
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FARMAM
Authors/Journal
Authors: M.P.Groziak, S.R.Wilson, G.L.Clauson, N.J.Leonard
Chemical
Name: Pyrido(1'',2'':1',2')imidazo(4',5':4,5)imidazo(1,2-a)pyridine
2,4,7-trinitro-9-fluorenone
Synonym: Dipyrido(1,2-a:2',1'-f)-1,3,4,6-tetra-azapentalene 2,4,7-
trinitro-9-fluorenone
Source:
Colour: red-black
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: z(C1)=.3859 not .3589
REFCODE: FARNOD
Authors/Journal
Authors: Qian Jin Shen, Hong Qing Wei, Wen Sheng Zou, Hao-Ling Sun, Wei
Jun Jin
Chemical
Formula: C16 H10,C6 F4 I2
Name: 1,2,4,5-Tetrafluoro-3,6-diiodobenzene pyrene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.73
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FARQAR
Authors/Journal
Authors: S.Tragl, K.Gibson, H.-J.Meyer
Journal: Z.Anorg.Allg.Chem. , 630, 2373, 2004
Chemical
Formula: C6 H1 Cl4 N7,C3 Cl3 N3
Name: bis(4,6-Dichloro-1,3,5-triazine-2-yl)amine cyanuric chloride
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FASJUG
Authors/Journal
Authors: Shouwen Jin, Ming Guo, Daqi Wang, Han Cui
Chemical
Name: 1-(2-Oxo-2-phenylethyl)-1H-imidazole 3-nitrobenzoic acid
Synonym: 2-(1H-Imidazol-1-yl)-1-phenylethanone m-nitrobenzoic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.71
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FASMUH
Authors/Journal
Authors: N.W.Alcock, R.M.Countryman
Chemical
Formula: C56 H56 Br4 I4,C28 H28 Br2 I2
Name: tetra((mu!2$-Bromo)-di-p-tolyl-iodide) bis((mu!2$-bromo)-di-p-
tolyl-iodide)
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 6.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FASSOK
Authors/Journal
Authors: P.Macfhionnghaile, Yun Hu, K.Gniado, S.Curran, P.Mcardle
Chemical
Name: bis(4-amino-N-(4-methylpyrimidin-2-yl)benzenesulfonamide)
oxalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.33
Temperature: 302
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FATLAQ
Authors/Journal
Authors: Y.M.Poronik, L.M.Mazur, M.Samoc, D.Jacquemin, D.T.Gryko
Chemical
Name: 2-methyl-1-(4-methylphenyl)-3-((4-methylphenyl)imino)-5-
(pyridin-4-yl)-2,3-dihydro-1H-pyrrol-2-ol isonicotinic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 9.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FAVFIT
Authors/Journal
Authors: Shouwen Jin, Ming Guo, Daqi Wang, Shuaishuai Wei, Yong Zhou,
Yingping Zhou, Xinchao Cao, Zeyun Yu
Chemical
Name: 1,1'-Methylenebis(1H-imidazole) bis(3-nitrobenzoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.98
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEBSEN
Authors/Journal
Authors: J.G.P.Wicker, L.M.Crowley, O.Robshaw, E.J.Little, S.P.Stokes,
R.I.Cooper, S.E.Lawrence
Chemical
Name: bis(2-nitrobenzoic acid) urea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.66
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEBSIR
Authors/Journal
Chemical
Name: 2-Aminobenzoic acid nicotinamide
Synonym: 2-aminobenzoic acid pyridine-3-carboxamide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.05
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FECFEB
Authors/Journal
Chemical
Name: pyridine-3-carboxamide 4-nitrobenzoic acid
Synonym: nicotinamide 4-nitrobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.97
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FECFIF
Authors/Journal
Chemical
Name: pyridine-3-carboxamide 4-fluorobenzoic acid
Synonym: nicotinamide 4-fluorobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.92
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FECFOL
Authors/Journal
Chemical
Name: pyridine-4-carboxamide bis(3-methoxybenzoic acid)
Synonym: isonicotinamide bis(3-methoxybenzoic acid)
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.57
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FECFUR
Authors/Journal
Chemical
Name: urea 3-nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.12
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FECGEC
Authors/Journal
Chemical
Name: benzamide 3-fluorobenzoic acid
Synonym:
Source:
Melting Point:
Colour: pink
Extra Information:
Experimental
R-Factor (%): 7.16
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FECGOM
Authors/Journal
Chemical
Name: pyridine-3-carboxamide bis(3-methylbenzoic acid)
Synonym: nicotinamide m-toluic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.72
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FECGUS
Authors/Journal
Chemical
Formula: C10 H8 N2,C7 H5 F1 O2
Name: 4,4'-bipyridine 2-fluorobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.89
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FECHAZ
Authors/Journal
Chemical
Name: benzamide bis(2-nitrobenzoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.57
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEDFUS
Authors/Journal
Authors: S.Allu, G.Bolla, S.Tothadi, Ashwini Nangia
Chemical
Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid pyridin-
2(1H)-one
Synonym: bumetanide-2-pyridone
Source:
Colour: colorless
Extra Information: Bumetanide is a diuretic sulfonamide drug
Experimental
R-Factor (%): 5.71
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEDGIH
Authors/Journal
Chemical
Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid pyridine-4-
carboxamide
Synonym: bumetanide isonicotinamide
Source:
Colour: colorless
Experimental
R-Factor (%): 5.45
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEDGIH01
Authors/Journal
Chemical
Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid pyridine-4-
carboxamide
Synonym: bumetanide isonicotinamide
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.52
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEDHAA
Authors/Journal
Chemical
Name: bis(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid)
Synonym: bis(bumetanide) picolinamide
Source:
Colour: colorless
Experimental
R-Factor (%): 5.92
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEDHEE
Authors/Journal
Chemical
Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid 3-
methoxypyridin-2(1H)-one
Synonym: bumetanide 3-methoxy-2-pyridone
Source:
Colour: colorless
Experimental
R-Factor (%): 5.72
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEDHII
Authors/Journal
Chemical
Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid bis(pyridine-
4-carboxamide)
Synonym: bumetanide bis(isonicotinamide)
Source:
Colour: colorless
Experimental
R-Factor (%): 6.08
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEDHOO
Authors/Journal
Chemical
Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid 6-
methylpyridin-2(1H)-one
Synonym: bumetanide 6-methyl-2-pyridone
Source:
Colour: colorless
Experimental
R-Factor (%): 5.68
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEDJAC
Authors/Journal
Authors: Huu-Tri Huynh, O.Jeannin, M.Fourmigue
Chemical
Formula: C10 H8 N2 Se2,C10 H8 N2
Name: (1,3-phenylene)bis(methylene) bis(selenocyanate) 4,4'-
bipyridine
Synonym: 1,3-bis(selenocyanatomethyl)benzene 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEDJEG
Authors/Journal
Authors: Huu-Tri Huynh, O.Jeannin, M.Fourmigue
Chemical
Name: (1,4-phenylene)bis(methylene) bis(selenocyanate) 4,4'-
bipyridine
Synonym: 1,4-bis(selenocyanatomethyl)benzene 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEFMEL
Authors/Journal
Authors: D.A.Bulanov, I.A.Novokshonova, V.V.Novokshonov, I.A.Ushakov,
I.V.Sterkhova
Journal: Synth.Commun. , 47, 335, 2017
Chemical
Name: 1-(1H-pyrazol-3-yl)cyclohexanol 1-(1H-pyrazol-5-
yl)cyclohexanol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.93
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEGPOW
Authors/Journal
Authors: E.J.Valente, D.S.Eggleston, V.Schomaker
Chemical
Name: rac-trans-2-Hydroxy-2-methyl-4-isopropyl-3,4-dihydro-2H,5H-
pyrano(3,2-c)(1)benzopyran-5-one 4-hydroxy-2H-benzopyran-2-one
Synonym:
Source:
Melting Point: 393.3-394.9K
Colour:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FEGYEV
Authors/Journal
Authors: S.C.Blackstock, J.P.Lorand, J.K.Kochi
Chemical
Formula: C7 H13 N1,C1 Br4
Name: Quinuclidine carbon tetrabromide
Synonym:
Source:
Melting Point:
Colour: slightly yellow
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEHNUC
Authors/Journal
Authors: F.Palacios, A.M.O.de Retana, S.Pascual, R.L.de Munain,
J.Oyarzabal, J.M.Ezpeleta
Chemical
Formula: C6 H15 N1,C15 H11 F10 N2 O2 P1
Name: Diisopropylamine 2-ethoxy-2-oxo-3-phenyl-4,6-bis
(pentafluoroethyl)-2,5-dihydro-1,5,2-diazaphosphinine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.01
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEHREQ
Authors/Journal
Authors: T.Murata, Y.Morita, K.Fukui, K.Sato, D.Shiomi, T.Takui,
M.Maesato, H.Yamochi, G.Saito, K.Nakasuji
Chemical
Formula: 2(C9 H6 N2 S4),C6 Cl4 O2
Name: bis(4-((Imidazol-2-yl)-1',3'-dithiol-2'-ylidene)-1,3-dithiole)
p-chloranil
Synonym: bis(4-(Imidazol-2-yl)tetrathiafulvalene) p-chloranil
Source:
Melting Point: 205-210 deg.C(dec.)
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEJDUT
Authors/Journal
Authors: S.C.Blackstock, J.K.Kochi
Chemical
Formula: 2(C6 H10 N2),C6 N4
Name: bis(2,3-Diazabicyclo(2.2.2)oct-2-ene) tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour: red-orange
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: dx reported as 1.21; we calculate 1.25
REFCODE: FENPOD
Authors/Journal
Authors: N.S.Magomedova, L.A.Chetkina, V.K.Bel'skii, Yu.N.Sazanov,
S.A.Dauengauer, L.A.Shibaev
Chemical
Name: Pyromellitic acid 1,4-dianilide bis(dimethylformamide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FENPUJ
Authors/Journal
Authors: N.S.Magomedova, L.A.Chetkina, V.K.Bel'skii, Yu.N.Sazanov,
S.A.Dauengauer, L.A.Shibaev
Chemical
Name: bis(N-Methyl-2-pyrrolidone) pyromellitic acid 1,4-dianilide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FENQEX
Authors/Journal
Authors: R.Khatioda, B.Saikia, P.J.Das, B.Sarma
Chemical
Name: ethenzamide gentisic acid
Synonym: 2,5-dihydroxybenzoic acid 2-ethoxybenzamide
Source:
Melting Point:
Colour: colorless
Extra Information: Ethenzamide and gentisic acid are both NSAIDs and, in
addition, gentisic acid is also known for its anti-ageing properties
Experimental
R-Factor (%): 4.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEPKIW01
Authors/Journal
Authors: C.O.Leon, L.R.MacGillivray
Chemical
Formula: C12 H10 N2,4(C4 H3 F1 N2 O2)
Name: tetrakis(5-fluoropyrimidine-2,4(1H,3H)-dione) 4,4'-(ethene-
1,2-diyl)dipyridine
Synonym: tetrakis(5-fluorouracil) 1,2-bis(pyridin-4-yl)ethene
Source:
Melting Point:
Colour: pale orangish yellow
Extra Information:
Experimental
R-Factor (%): 3.88
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEPPUO
Authors/Journal
Authors: S.S.A.Abidi, Y.Azim, S.N.Khan, A.U.Khan
Journal: J.Pharm.Biomed.Anal. , 149, 351, 2018
Chemical
Name: 4-amino-N-(diaminomethylidene)benzene-1-sulfonamide 1,10-
phenanthroline
Synonym: Sulfaguanidine 1,10-phenanthroline
Source:
Colour: colorless
Extra Information: sulfaguanidine is an antibiotic, co-crystals exhibit increased
antibacterial activity and improved non-hemolytic/non-cytotoxic potential
Experimental
R-Factor (%): 4.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEPYUU01
Authors/Journal
Authors: R.Sato, T.Kawamoto, T.Mori
Chemical
1$2!,2$2!:2$5!,3$2!:3$5!,4$2!-quaterthiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.24
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEQPOJ
Authors/Journal
Authors: S.Biswas, R.Saha, I.M.Steele, S.Kumar, K.Dey
Chemical
Name: N$2!,N$3!-dihydroxybutane-2,3-diimine 2,3-dimethylquinoxaline
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 7.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEQVON
Authors/Journal
Authors: J.-L.Syssa-Magale, K.Boubekeur, B.Schollhorn
Chemical
Name: 4,4'-bis(Dimethylamino)benzophenone 1,4-di-iodo-2,3,5,6-
tetrafluorobenzene
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FESRAW
Authors/Journal
Authors: A.L.MacDonald, A.Murray, S.Townsley, P.R.Mallinson
Chemical
Name: Diphenol urea
Synonym:
Source:
Melting Point: 333.8K
Colour:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FETXOU
Authors/Journal
Authors: Huanqing Ye, Guangfeng Liu, Sheng Liu, D.Casanova, Xin Ye,
Xutang Tao, Qichun Zhang, Qihua Xiong
Chemical
Name: coronene octafluoronaphthalene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 11.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FETYAE
Authors/Journal
Authors: J.C.Barnes, W.Golnazarians
Chemical
Name: Pyrene 2,4,6-trinitrotoluene
Synonym:
Source:
Melting Point:
Colour: pale orange
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FEVZUD
Authors/Journal
Authors: A.Tilborg, G.Springuel, B.Norberg, J.Wouters, T.Leyssens
Chemical
Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid (S)-
pyrrolidinium-2-carboxylate
Synonym: (L)-Proline (S)-Naproxen
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [FEVZOX], [QILZOD], [QIMBAS], [QIMBEW];
naproxen is a nonsteroidal anti-inflammatory drug
Experimental
R-Factor (%): 3.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEXSEJ
Authors/Journal
Authors: T.Daisy Rani, M.Rajkumar, A.Chandramohan
Journal: Mater.Lett. , 222, 118, 2018
Chemical
Name: 4-aminobenzoic acid 1-(pyridin-4-yl)ethan-1-one
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information: Heat-sensitive
Experimental
R-Factor (%): 4.29
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEZPAB
Authors/Journal
Authors: J.F.DeBernardis, D.J.Kerkman, D.L.Arendsen, S.A.Buckner,
J.J.Kyncl, A.A.Hancock
Chemical
Name: (+)-2-(5,6-Dimethoxy-1,2,3,4-tetrahydro-1-naphthyl)imidazoline
(+)-dibenzoyl-D-tartaric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information: absolute configuration; potent agonistic activity at alpha-
adrenoceptors
Experimental
R-Factor (%): 6.31
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes: Number of carbon atoms in the dibenzoyl-D-tartaric acid is 18
not 8 as published. N1' was given as C1' in the atom table
REFCODE: FIDCIG
Authors/Journal
Authors: J.Liu
Chemical
Name: bis(N'-Hydroxypyridine-2-carboximidamide) succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIDKOT
Authors/Journal
Authors: K.Biradha, G.Mahata
Chemical
Name: rac-(1,1'-Binaphthalene-2,2'-diol) bis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: dirty white
Extra Information:
Experimental
R-Factor (%): 7.64
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIDMUC
Authors/Journal
Authors: Li-Juan Zhang, Qun Wu, Jing Sun, Chao-Guo Yan
Journal: Beilstein J.Org.Chem. , 9, 846, 2013
Chemical
Name: Methyl 6'-amino-5'-cyano-1'-(4-methoxyphenyl)-2-oxo-1,2-
dihydro-1'H-spiro[indole-3,4'-pyridine]-3'-carboxylate N,N-dimethylformamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.26
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIDZEA
Authors/Journal
Authors: K.Lekin, A.A.Leitch, A.Assoud, Wenjun Yong, J.Desmarais,
J.S.Tse, S.Desgreniers, R.A.Secco, R.T.Oakley
Chemical
Formula: C6 N2 O2 S2 Se2,2(C5 H10 N2 O1)
Name: 4,8-dioxo-4,8-dihydrobenzo[1,2-d:5,4-
d']bis[1,2,3]thiaselenazol-6-ium-3-ide bis(1,3-dimethylimidazolidin-2-one)
Synonym:
Source:
Melting Point:
Colour: dark purple
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIFKUD
Authors/Journal
Authors: Shasha Zhang, Wei Yuan, Yaru Qin, Jin Zhang, Ning Lu, Wei Liu,
Hongkun Li, Yong Wang, Yahong Li
Chemical
Formula: 2(C25 H22 B1 F2 N5),C6 H2 Cl4 O2
Name: bis({3-[(3,5-dimethyl-1H-pyrrol-2-yl)(3,5-dimethyl-2H-pyrrol-
2-ylidene)methyl]-2-(pyridin-2-yl)imidazo[1,2-a]pyridinato}(difluoro)boron)
2,3,5,6-tetrachlorobenzene-1,4-diol
Synonym: bis(8-(2-(pyridine-2-yl)-imidazo[1,2-a]pyridine)-1,3,5,7-
tetramethyl-4,4-difluoroboradiazaindacene) 2,3,5,6-tetrachlorobenzene-1,4-diol
Source:
Melting Point:
Colour: light red
Extra Information:
Experimental
R-Factor (%): 8.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIFLAI
Authors/Journal
Authors: M.Amai, M.Kamijo, H.Nagase, T.Endo, H.Ueda
Chemical
Name: n-Heptadecanoic acid 3-pyridinecarboxamide
Synonym: Margaric acid nicotinamide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: The cell gamma value =92.357 not 92.0
REFCODE: FIHYEA
Authors/Journal
Authors: V.R.Pedireddi, A.Ranganathan, S.Chatterjee
Chemical
Name: bis(3,5-Dinitrobenzoic acid) 4,4'-bipyridyl
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FIHYEA02
Authors/Journal
Authors: Ting-Feng Tan, Jie Han, Mei-Li Pang, Hai-Bin Song, Yu-Xin Ma,
Ji-Ben Meng
Chemical
Formula: 0.5(C10 H8 N2),C7 H4 N2 O6
Name: 3,5-Dinitrobenzoic acid hemikis(4,4-bipyridine)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIJCIK
Authors/Journal
Authors: V.R.Pedireddi, A.Ranganathan, S.Chatterjee
Chemical
Name: bis(3,5-Dinitro-4-methylbenzoic acid) 4,4'-bipyridyl
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FILHEN
Authors/Journal
Authors: I.V.Bulgarovskaya, V.K.Bel'skii, V.M.Vozzhennikov
Chemical
Formula: C10 H2 O6,C14 H8 Br2
Name: 1,2:4,5-Pyromellitic dianhydride 9,10-dibromoanthracene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 2.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FILHIR
Authors/Journal
Authors: I.V.Bulgarovskaya, V.E.Zavodnik, V.M.Vozzhennikov
Chemical
Name: 1,2:4,5-Pyromellitic dianhydride chrysene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FILHOX
Authors/Journal
Authors: I.V.Bulgarovskaya, V.E.Zavodnik, V.M.Vozzhennikov
Chemical
Name: 1,2:4,5-Pyromellitic dianhydride tetracene
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 2.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FIMHUH
Authors/Journal
Authors: Manna Huang, Jie Zhou, Ke Xu, Xinhai Zhu, Yiqian Wan
Journal: Dyes Pigm. , 160, 839, 2019
Chemical
Formula: C23 H18 Cl1 N3 O1 S1,C23 H18 Cl1 N3 O1 S1
Name: 2-[8-(2-chlorophenyl)-6-isopropyl-1H-imidazo[4,5-b]thieno[3,2-
e]pyridin-2-yl]phenol 2-[8-(2-chlorophenyl)-6-isopropyl-3H-imidazo[4,5-
b]thieno[3,2-e]pyridin-2-yl]phenol
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIMKUK
Authors/Journal
Authors: Jianqun Jin, Guankui Long, Jing Zhang, Changjin OU, Caixia
Zhu, Haixiao Xu, Jianfeng Zhao, Mingtao Zhang, Wei Huang
Chemical
Name: bis(2,2'-(cyclohexa-2,5-diene-1,4-
diylidene)dipropanedinitrile) 9,9'-(pyrazine-2,5-diyl)bis(9H-carbazole)
Synonym:
Source:
Melting Point:
Colour: dark black
Extra Information:
Experimental
R-Factor (%): 5.16
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIMLAR
Authors/Journal
Authors: Jianqun Jin, Guankui Long, Jing Zhang, Changjin OU, Caixia
Zhu, Haixiao Xu, Jianfeng Zhao, Mingtao Zhang, Wei Huang
Chemical
Formula: 2(C28 H18 N4),5(C12 H4 N4)
Name: pentakis(2,2'-(cyclohexa-2,5-diene-1,4-
diylidene)dipropanedinitrile) bis(9,9'-(pyridazine-3,6-diyl)bis(9H-carbazole))
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 12.54
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIMTAW
Authors/Journal
Chemical
Name: 2-Diphenylmethoxy-N,N-dimethylethylamine tris(thiourea)
Synonym: Diphenhydramine tris(thiourea); PDB Chemical Component code:
2PM
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FIQBAJ
Authors/Journal
Authors: Xiao-Qing Cai, Mao-Lin Hu, Ya-Juan Zhao, Ya-Qian Cheng, Shun
Wang
Chemical
Name: 2,3,5,6-Tetramethylpyrazine p-nitrophenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: 2,3,5,6-tetramethylpyrazine possesses antiulcer and
antiplatelet activities; p-nitrophenol is used as a pesticide in agriculture
Experimental
R-Factor (%): 7.67
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIWYIW
Authors/Journal
Chemical
Formula: C7 H4 F2 O2,C6 H4 N2
Name: 2,4-difluorobenzoic acid pyridine-4-carbonitrile
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.2
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIWYOC
Authors/Journal
Authors: G.N.A.Kumar
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIXQUB
Authors/Journal
Authors: F.Modicom, E.M.G.Jamieson, E.Rochette, S.M.Goldup
Chemical
Name: 2-((3,5-di-t-butylphenyl)[1-(3,5-di-t-butylphenyl)-1H-1,2,3-
triazol-4-yl]methanol)-(22,27-dioxa-35,36-
diazapentacyclo[26.2.2.2$18,21!.1$5,9!.1$10,14!]hexatriaconta-
1(30),5(36),6,8,10(35),11,13,18,20,28,31,33-dodecaene) rotaxane
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 5.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIXROV
Authors/Journal
Authors: M.Sowa, K.Slepokura, E.Matczak-Jon
Chemical
Name: 2-(2-Oxopyrrolidin-1-yl)acetamide 3,5,7-trihydroxy-2-(3,4,5-
trihydroxyphenyl)-4H-chromen-4-one
Synonym: Myricetin piracetam; PDB Chemical Component code: MYC
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.47
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FIYDUM
Authors/Journal
Authors: C.Momany, M.L.Hackert, J.Sharma, N.S.Poonia
Journal: J.Inclusion Phenom.Mol.Recog.Chem. , 5, 343, 1987
Chemical
Formula: C38 H42 K2 O14,C38 H42 Na2 O14
Name: bis(mu!2$-Salicylato-O,O,O')-(mu!2$-dibenzo-24-crown-8)-di-
potassium bis(mu!2$-salicylato-O,O,O')-(mu!2$-dibenzo-24-crown-8)-di-sodium
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: y(O1B) should be 0.1677, not 0.01677. C18A-C19A should be 1.40
not 1.34
REFCODE: FIZFUR
Authors/Journal
Authors: M.Oruganti, D.R.Trivedi
Chemical
Name: 4-Amino-N-(1,3-thiazol-2(3H)-ylidene)benzenesulfonamide 4-
nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.6
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FLABPC
Authors/Journal
Authors: F.H.Herbstein, M.Kaftory
60, 1975
Chemical
Formula: C16 H10,C6 H2 Br1 N3 O6
Name: Fluoranthene-picryl bromide complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Y-COORD. OF H3' AND Z-COORD. OF H2 IN TABLE 4 SHOULD BE
NEGATIVE AND X-COORD. OF H5' AND Z-COORD. OF H1 SHOULD BE POSITIVE
REFCODE: FODTIB
Authors/Journal
Authors: A.D.Hamilton, D.van Engen
Chemical
Name: 1-(n-Butyl)thymine 2,6-bis(4,4'-(naphthalene-2,7-diolato-
O,O')-butanamido)-pyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information: biomimetic receptor activity
Experimental
R-Factor (%): 7.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FOGWIH
Authors/Journal
Authors: R.M.Riggs, A.T.McKenzie, S.R.Byrn, D.E.Nichols, M.M.Foreman,
L.L.Truex
Chemical
Formula: C19 H25 N1 O2,C1 H4 O3 S1
Name: (-)-(S)-N-(alpha-Methylbenzyl)-2(R)-(3,4-
dimethoxyphenyl)propylamine methyl sulfonate
Synonym:
Source:
Melting Point:
Colour:
Extra Information: dopamine agonist activity
Experimental
R-Factor (%): 7.89
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FOHQOK
Authors/Journal
Authors: O.S.Bushuyev, T.Christopher Corkery, C.J.Barrett, T.Friscic
Journal: Chemical Science , 5, 3158, 2014
Chemical
Formula: C12 Br2 F8 N2,C10 H8 N4
Name: 4,4'-diazene-1,2-diyldipyridine trans-bis(4-bromo-2,3,5,6-
tetrafluorophenyl)diazene
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information: for stereoisomer see [FOHPOJ]
Experimental
R-Factor (%): 3.62
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOJSAY
Authors/Journal
Authors: M.I.Bruce, M.R.Snow, E.R.T.Tiekink
Chemical
Formula: C12 F10 N2,C14 H12
Name: trans-Decafluoroazobenzene trans-1,2-diphenylethene
Synonym: trans-Decafluoroazobenzene trans-stilbene
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FOKHUI
Authors/Journal
Authors: B.Bonnaud, A.Proutiere, R.Viani, M.Monnier, H.Bodot, J.-
P.Aycard
Chemical
Formula: C18 H10 N4,C6 H4 S4
Name: 2,2'-Bi-1,3-dithiolylidene 6,7-dimethyl-1,4-
naphthalenediylidene-bis(malononitrile)
Synonym: Tetrathiafulvalene 6,7-dimethyl-11,11,12,12-tetracyano-1,4-
dimethyl-naphthoquinone
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: fw and dx published as 626.73 and 3.675; we calculate 486.64
and 2.85. C24 S23 should read C24 C23. x(C6) should be 1.1086, not 1.2086
REFCODE: FOMWIN
Authors/Journal
Authors: Z.Malarski, I.Majerz, T.Lis
Chemical
Name: 3-Cyanopyridine pentachlorophenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 301
Intensity Meas: 3
Disorder:
CCDC Notes: H11 appears to be in error and is not retained
REFCODE: FOQYOB
Authors/Journal
Authors: J.K.Zareba, M.J.Bialek, Jan Janczak, J.Zon, A.Dobosz
Chemical
Formula: C25 H24 O12 P4,2(C10 H8 N2)
Name: (methanetetrayltetra-4,1-phenylene)tetrakis(phosphonic acid)
bis(2,2'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.77
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FORBAQ01
Authors/Journal
Authors: S.Bernes, A.Salmeron-Valverde
Chemical
Name: 2,4,5,7-Tetranitro-9H-fluoren-9-one 2-(1,3-dithiol-2-ylidene)-
1,3-dithiole
Synonym: 1,1',3,3'-Tetrathiafulvalene 2,4,5,7-tetranitro-9-fluorenone
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.77
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FORGEA
Authors/Journal
Authors: Jian-Jun Liu, Yu-Jian Hong, Ying-Fang Guan, Mei-Jin Lin,
Chang-Cang Huang, Wen-Xin Dai
Journal: Dalton Trans. , 44, 653, 2015
Chemical
Name: 1-methylpyrrolidin-2-one 2,7-bis(pyridin-4-yl)benzo[lmn]
[3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.03
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FORLIJ
Authors/Journal
Authors: G.S.Papaefstathiou, A.J.E.Duncan, L.R.MacGillivray
Chemical
Name: rctt-tetrakis(2-Pyridyl)cyclobutane tris(1,2-dihydroxybenzene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FORYET
Authors/Journal
Authors: Xiao-Qin Ma, Chong Zhuang, Bi-Chuan Wang, Yuan-Feng Huang,
Qing Chen, Ning Lin
Chemical
Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one 4,4'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOSFIE
Authors/Journal
Authors: B.Swapna, D.Maddileti, Ashwini Nangia
Chemical
Name: Isonicotinohydrazide (E)-3-(4-hydroxy-3-methoxyphenyl)acrylic
acid
Synonym: Isoniazid ferulic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.76
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOSFOK
Authors/Journal
Chemical
Name: isonicotinohydrazide benzene-1,3-diol
Synonym: Isoniazid resorcinol
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.35
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOSFUQ
Authors/Journal
Chemical
Name: isonicotinohydrazide 4-hydroxy-3-methoxybenzoic acid
Synonym: Isoniazid vanillic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOSFUQ01
Authors/Journal
Chemical
Name: isonicotinohydrazide 4-hydroxy-3-methoxybenzoic acid
Synonym: Isoniazid vanillic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.24
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOTYET
Authors/Journal
Authors: M.Telzhensky, M.Kaftory
Chemical
Name: 2,2'-Biphenyldicarboxylic acid bis(2(1H)-pyridinone)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOTYIX
Authors/Journal
Chemical
Name: 2,2'-Biphenyldicarboxylic acid bis(4-methyl-2(1H)-pyridinone)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.53
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOTYOD
Authors/Journal
Chemical
Name: 2,2'-Biphenyldicarboxylic acid bis(6-methyl-2(1H)-pyridinone)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.76
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOTYUJ
Authors/Journal
Chemical
Name: 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol bis(1-methyl-2(1H)-
pyridinone)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOTZAQ
Authors/Journal
Chemical
Name: 1,1,6,6-tetraphenyl-2,4-hexadiyne-1,6-diol bis(4-methyl-2(1H)-
pyridinone)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOVPIQ
Authors/Journal
Authors: R.Moreno-Fuquen, J.Ellena, J.E.Theodoro
Chemical
Name: 3-Nitrobenzoic acid 3-methyl-4-nitropyridine 1-oxide
Synonym:
Source:
Colour: pale-yellow
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOWSAM
Authors/Journal
Authors: Xiaohui Zhu
Chemical
Formula: C10 H8 N2,2(C7 H2 F4 O2)
Name: bis(2,3,4,5-Tetrafluorobenzoic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOXBUS
Authors/Journal
Authors: R.A.Wiscons, V.Coropceanu, A.J.Matzger
Chemical
Formula: C14 H12 Se1,C8 Br2 N2 O2
Name: 4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
4,6-dimethyldibenzo[b,d]selenophene
Synonym: 2,3-dibromo-5,6-dicyanobenzioquinone 4,6-
dimethyldibenzoselenophene
Source:
Melting Point:
Colour: metallic dark brown
Extra Information: solvent evaporation
Experimental
R-Factor (%): 2.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOXCUT
Authors/Journal
Chemical
Formula: C14 H12 S1,C8 Br2 N2 O2
Name: 4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
4,6-dimethyldibenzo[b,d]thiophene
Synonym: 2,3-dibromo-5,6-dicyanobenzoquinone 4,6-
Source:
Melting Point:
Colour: dark violet
Experimental
R-Factor (%): 3.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOXCUT01
Authors/Journal
Authors: R.A.Wiscons, A.J.Matzger
Chemical
Name: 2,6-dimethyldibenzo[b,d]thiophene 4,5-dibromo-3,6-
dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
Synonym: 2,6-dimethyldibenzothiophene 2,3-dibromo-5,6-
dicyanobenzoquinone
Source:
Melting Point:
Colour: dark violet
Extra Information:
Experimental
R-Factor (%): 6.21
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOXDAA
Authors/Journal
Chemical
Formula: C14 H12 S1,C8 Cl2 N2 O2
Name: 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
4,6-dimethyldibenzo[b,d]thiophene
Synonym: 2,3,-dichloro-5,6-dicyanobenzoquinone 4,6-
Source:
Melting Point:
Experimental
R-Factor (%): 2.38
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FOYTES
Authors/Journal
Authors: M.Gdaniec, Z.Kosturkiewicz, B.Golankiewicz
Chemical
Name: beta-1',2',3',4',10,11-Hexahydrocinchonine beta-9-deoxy-
1',2',3',4',10,11-hexahydrocinchonine
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FUDTUT
Authors/Journal
Authors: K.Nakasuji, M.Sasaki, T.Kotani, I.Murata, T.Enoki, K.Imaeda,
H.Inokuchi, A.Kawamoto, J.Tanaka
Chemical
Formula: C6 Cl4 O2,C16 H12 S4
Name: 2,7-bis(Methylthio)-1,6-dithiapyrene tetrachloro-p-
benzoquinone
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FUFMID
Authors/Journal
Chemical
Name: Thiourea benzo-[18]crown-6
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FUFMUP
Authors/Journal
Chemical
Name: 1-Methylthiourea benzo-[18]crown-6
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.04
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FUHGUL
Authors/Journal
Authors: Yao-Geng Wang
Chemical
Name: bis(2-Amino-6-methyl-1,3-benzothiazole) octanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FUMKAB
Authors/Journal
Authors: S.Sudalai Kumar, R.Thakuria, Ashwini Nangia
Chemical
Name: (2R,3S)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-
(1H-1,2,4-triazol-1-yl)butan-2-ol 3-nitrobenzoic acid
Synonym: Voriconazole 3-nitrobenzoic acid
Source:
Colour: colorless
Extra Information: Voriconazole is an antifungal drug
Experimental
R-Factor (%): 3.84
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FUMKIJ
Authors/Journal
Chemical
(1H-1,2,4-triazol-1-yl)butan-2-ol 4-aminobenzoic acid
Synonym: Voriconazole 4-aminobenzoic acid-
Source:
Colour: colorless
Experimental
R-Factor (%): 5.4
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FUPDUR
Authors/Journal
Authors: S.Mondal, D.Manna, G.Mugesh
Chemical
Formula: C5 H8 N2 Se1,C4 H3 I1 N2 O2
Name: 5-Iodopyrimidine-2,4(1H,3H)-dione 1,3-dimethyl-1,3-dihydro-2H-
imidazole-2-selone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FUPFAZ
Authors/Journal
Authors: S.Mondal, D.Manna, G.Mugesh
Chemical
Formula: C5 H8 N2 S1,2(C4 H3 I1 N2 O2)
Name: 5-Iodopyrimidine-2,4(1H,3H)-dione 1,3-dimethyl-1,3-dihydro-2H-
imidazole-2-thione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.15
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FUPLIL
Authors/Journal
Authors: J.R.Damewood Junior, J.J.Urban, T.C.Williamson, A.L.Rheingold
Chemical
Name: cis-syn-cis-Dicyclohexyl-18-crown-6 malononitrile
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.38
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Space group given as Pabc
REFCODE: FUPLOR
Authors/Journal
Authors: J.R.Damewood Junior, J.J.Urban, T.C.Williamson, A.L.Rheingold
Chemical
Name: cis-anti-cis-Dicyclohexyl-18-crown-6 bis(malononitrile)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.97
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Sg is P-1 not P1
REFCODE: FURAOX
Authors/Journal
Authors: C.-M.Huang, L.Leiserowitz, G.M.J.Schmidt
Chemical
Name: bis(Furamide) oxalic acid
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FUREAP
Authors/Journal
Authors: F.Mazza, H.M.Sobell, G.Kartha
Chemical
Name: 1-Methyl-5-fluorouracil-9-ethyl-2-aminopurine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FUREHX
Authors/Journal
Authors: S.H.Kim, A.Rich
Journal: Science , 158, 1046, 1967
Chemical
Name: 5-Fluorouracil-9-ethylhypoxanthine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FURMCY
Authors/Journal
Authors: S.-H.Kim, A.Rich
Chemical
Name: 5-Fluorouracil-1-methylcytosine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: FURWIA
Authors/Journal
Authors: G.Bolla, Ashwini Nangia
Chemical
Name: 4-Sulfamoylbenzoic acid pyridin-2(1H)-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.02
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FURWIA01
Authors/Journal
Chemical
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.97
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FURWIA02
Authors/Journal
Chemical
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.93
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FURWOG
Authors/Journal
Chemical
Name: 4-Sulfamoylbenzoic acid isonicotinamide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.38
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FURXAT
Authors/Journal
Chemical
Name: 4-sulfamoylbenzoic acid bis(6-methylpyridin-2(1H)-one)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.42
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FURXEX
Authors/Journal
Chemical
Name: 4-Sulfamoylbenzoic acid bis(nicotinamide)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.77
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FURYAU
Authors/Journal
Chemical
Name: 4-Sulfamoylbenzoic acid bis(3-methoxypyridin-2(1H)-one)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FURYEY
Authors/Journal
Chemical
Name: 4-Sulfamoylbenzoic acid pyridine-2-carboxamide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FURYOI
Authors/Journal
Chemical
Name: 4-Sulfamoylbenzoic acid piperidin-2-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.53
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FUSGUX
Authors/Journal
Chemical
Name: Sulfonamide benzoic acid caprolactam
Synonym: 4-sulfamoylbenzoic acid azepan-2-one
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.72
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FUSVAT
Authors/Journal
Authors: Suven Das, P.Das, S.Maity, P.Ghosh, A.Dutta
Chemical
Name: 4b,9b-dihydroxy-8-methyl-4b,9b-dihydro-10H-benzo[b]indeno[2,1-
d]furan-10-one bis(pyridin-2-amine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.69
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FUXYEC
Authors/Journal
Authors: J.C.Barnes
Chemical
Name: bis(1,8-Epoxymenthane) 1,4-benzenediol
Synonym:
Source:
Melting Point: 379.7deg.C(dec.)
Colour:
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Atoms H31 and H271 deleted because of suspected coordinate
errors. O11 given as C11 in atom table
REFCODE: FUYCAD
Authors/Journal
Authors: Yun Yi Wei, B.Tinant, J.-P.Declercq, M.Van Meerssche, J.Dale
Chemical
Formula: C12 H24 O6,C2 H8 Mg1 N2 O4 S2
Name: 1,4,7,10,13,16-Hexaoxacyclo-octadecane tetra-aqua-
bis(isothiocyanato)-magnesium
Synonym: 18-Crown-6 tetra-aqua-bis(isothiocyanato)-magnesium
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Corrected sg, co-ordinates and bond lengths have been
published by the same authors in Acta cryst. C44,1866,1988; these corrected
parameters are included in this entry
REFCODE: GABYUE
Authors/Journal
Authors: I.Bensemann, M.Gdaniec, K.Lakomecka, M.J.Milewska, T.Polonski
Chemical
Name: N,N'-bis(2-Pyridyl)-1,3-diaminobenzene 1,3-benzenedicarboxylic
acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.66
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GABZEP
Authors/Journal
Chemical
Name: N,N'-bis(2-Pyridyl)-1,3-diaminobenzene oxalic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.52
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GABZUF
Authors/Journal
Chemical
Name: N,N'-bis(2-Pyridyl)-1,3-diaminobenzene succinic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.72
Temperature: 294
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GACBOC
Authors/Journal
Chemical
Name: N,N'-bis(2-Pyridyl)-1,4-diaminobenzene sebacic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.65
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GACZEQ
Authors/Journal
Authors: F.Heaney, J.Fenlon, P.McArdle, D.Cunningham
Chemical
Formula: C12 H14 N2 O2,1.5(C6 H6 O2)
Name: 5-Methyl-6a-phenylhexahydro-6H-pyrrolo(3,4-c)isoxazol-6-one
sesquikis(hydroquinone)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.48
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes: The authors have confirmed that the structure is as named in
the paper, with an N-methyl moiety at position 5, and not as shown in the paper,
with a C-methyl at that position
REFCODE: GADBEV
Authors/Journal
Authors: M.Nageshwari, S.Kumaresan, M.L.Caroline, G.Mani, C.R.T.Kumari,
S.Sudha, P.Jayaprakash
Chemical
Name: L-Methionine hemikis(succinic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GADGUN
Authors/Journal
Authors: Z.Malarski, I.Majerz, T.Lis
Chemical
Name: 4-Methylpyridine pentachlorophenol
Synonym: Picoline pentachlorophenol
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: for thermally induced proton migration studies see also
[RAKQOJ] and [RAKQAV]
REFCODE: GADGUN01
Authors/Journal
Authors: I.Majerz, Z.Malarski, T.Lis
Chemical
Formula: C6 H7 N1,C6 D1 Cl5 O1
Name: 4-Methylpyridine deuteropentachlorophenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GADGUN08
Authors/Journal
Authors: L.Rajput, M.Banik, J.R.Yarava, S.Joseph, M.K.Pandey,
Y.Nishiyama, G.R.Desiraju
Chemical
Name: pentachlorophenol 4-methylpyridine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GADGUN09
Authors/Journal
Authors: N.P.Funnell, D.R.Allan, A.G.P.Maloney, R.I.Smith,
C.J.G.Wilson, S.Parsons
Chemical
Name: 4-methylpyridine pentachlorophenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.19
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: synchrotron; 0.4 GPa; 293 K
CCDC Notes:
REFCODE: GADGUN12
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 23.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GADGUN13
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GADGUN14
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.15
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GADGUN15
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.76
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GADGUN16
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GADGUN17
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 13.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GADQAD
Authors/Journal
Authors: Z.Urbanczyk-Lipkowska, P.Gluzinski
Chemical
Name: 2,2'-(Ethylenedioxy)diethylamine bis(maleic acid)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GADQEH
Authors/Journal
Chemical
Name: 2,2'-(Ethylenedioxy)diethylamine bis(fumaric acid)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GADQIL
Authors/Journal
Chemical
Name: 2,2'-(Ethylenedioxy)diethylamine adipic acid
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GAJQAM
Authors/Journal
Authors: K.Eichstaedt, A.Wasilewska, B.Wicher, M.Gdaniec, T.Polonski
Chemical
Formula: C6 H4 O4,2(C6 H4 N2 Se1)
Name: 2,5-dihydroxy-1,4-benzoquinone bis(2,1,3-benzoselenadiazole)
Synonym: bis(2,1,3-benzoselenadiazole) 2,5-dihydroxy-1,4-benzoquinone
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAJQEQ
Authors/Journal
Chemical
Formula: C6 H2 Cl2 O4,C6 H4 N2 Se1
Name: 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone bis(2,1,3-
benzoselenadiazole)
Synonym: bis(2,1,3-benzoselenadiazole) 3,6-dichloro-2,5-dihydroxy-1,4-
benzoquinone
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.08
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAJQIU
Authors/Journal
Chemical
Formula: 2(C6 H4 N2 Se1),C6 F4 I2
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene bis(2,1,3-
benzoselenadiazole)
Synonym: bis(2,1,3-benzoselenadiazole) 1,4-diiodo-2,3,5,6-
tetraflurobenzene
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAJQUG
Authors/Journal
Chemical
Formula: C6 H4 N2 Se1,I2
Name: 2,1,3-benzoselenadiazole iodine
Synonym:
Source:
Melting Point:
Colour: pale orange
Extra Information:
Experimental
R-Factor (%): 8.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GALBIF
Authors/Journal
Authors: Jing Zhang, Ling Ye, Li-Xin Wu
Chemical
Name: bis(4-Pyridyl)diazene succinic acid
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.26
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GALPIT
Authors/Journal
Authors: I.Fujii, T.Watadani, S.Nunomura, Y.Takahashi
Chemical
Name: (R)-2-Phenoxypropionic acid (S)-valine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.12
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GALQEQ
Authors/Journal
Authors: J.Guillon, J.-M.Leger, P.Sonnet, C.Dapremont, S.Massip,
C.Jarry
Chemical
Formula: C72 H84 Cs1 N3 O15,C72 H84 Cs1 N3 O15
Name: (25,27-Di-n-octyloxy-5,17-diphenyl-26,28-(3,6,9,12-
tetraoxatetradecane-1,14-diolato)calix(4)arene-O,O',O'',O''',O'''')-(picrato-O,O')-
cesium (25,27-di-n-octyloxy-5,17-diphenyl-26,28-(3,6,9,12-tetraoxatetradecane-1,14-
diolato)calix(4)arene-O,O',O'',O''',O'''',O''''')-(picrato-O)-cesium
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information: 1,3-alternate conformer
Experimental
R-Factor (%): 9.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GALRIU
Authors/Journal
Authors: M.Takama, M.Yasui, S.Harada, N.Kasai, K.Tanaka, F.Toda
Chemical
Name: 1,4-Diazabicyclo(2.2.2)octane bis(p-cresol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GANYEA01
Authors/Journal
Authors: T.Leyssens, G.Springuel, R.Montis, N.Candoni, S.Veesler
Chemical
Name: 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione (Z)-but-2-
enedioic acid
Synonym: Caffeine maleic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GANYIE01
Authors/Journal
Authors: T.Leyssens, G.Springuel, R.Montis, N.Candoni, S.Veesler
Chemical
Name: bis(1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione) (Z)-but-
2-enedioic acid
Synonym: bis(Caffeine) maleic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.73
Temperature: 293
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GANZOK
Authors/Journal
Authors: M.E.Fraser, S.Fortier, M.K.Markiewicz, A.Rodrigue,
J.W.Bovenkamp
Chemical
Formula: C26 H41 Na1 O7,C6 H6 O1
Name: (Dicyclohexano-18-crown-6)-phenol-phenoxy-sodium
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Five H atoms deleted
REFCODE: GAPWEZ
Authors/Journal
Authors: K.Prout, J.Fail, R.M.Jones, R.E.Warner, J.C.Emmett
Chemical
Formula: C6 H4 O2,2(C6 H5 I1 O1)
Name: bis(2-Iodophenol) 1,4-benzoquinone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GARVED
Authors/Journal
Authors: T.K.Wijethunga, M.akovic, J.Desper, C.B.Aakeroy
163, 2017
Chemical
Formula: C18 H8 I2,2(C10 H8 N2)
Name: 1,8-bis(iodoethynyl)anthracene bis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.82
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GARVIH
Authors/Journal
Authors: T.K.Wijethunga, M.akovic, J.Desper, C.B.Aakeroy
163, 2017
Chemical
Name: 1,8-bis(iodoethynyl)anthracene bis(4,4'-(diazene-1,2-
diyl)dipyridine)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.82
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GATZIM
Authors/Journal
Authors: E.Elacqua, P.Kaushik, R.H.Groeneman, J.C.Sumrak, D.-K.Bucar,
L.R.MacGillivray
Chemical
Formula: 2(C15 H13 N1 O2),C6 H4 Br2 O2
Name: bis(Methyl 4-(2-(pyridin-4-yl)vinyl)benzoate) 4,6-
dibromobenzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAVBAI
Authors/Journal
Authors: E.Elacqua, P.Kaushik, R.H.Groeneman, J.C.Sumrak, D.-K.Bucar,
L.R.MacGillivray
Chemical
Name: bis(Methyl 3-(pyridin-4-yl)acrylate) benzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.29
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAVHUH
Authors/Journal
Authors: Ya-Juan Zhao, Xin-Hua Li
Chemical
Name: 4-Nitrophenol urea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAVHUH01
Authors/Journal
Authors: P.Muthuraja, M.Sethuram, M.Sethu Raman, M.Dhandapani,
G.Amirthaganesan
Chemical
Name: 4-Nitrophenol urea
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.35
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAVNOH
Authors/Journal
Authors: T.V.Almsick, W.S.Sheldrick
Journal: Acta Crystallogr.,Sect.E:Struct.Rep.Online , 61, m2431, 2005
Chemical
Formula: C24 H48 As2 Cs2 O12 Se6,C24 H48 As2 Cs2 O12 Se6
Name: (mu!2$-bis((mu!2$-Diselenido)-selenido)-arsenic(iii)-
Se,Se',Se'',Se''',Se'''',Se''''')-bis(1,4,7,10,13,16-hexaoxocyclo-octadecane)-di-
cesium(i) (mu!2$-bis((mu!2$-diselenido)-selenido)-arsenic(iii)-Se,Se',Se'',Se''')-
bis(1,4,7,10,13,16-hexaoxocyclo-octadecane)-di-cesium(i)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.15
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAWJEU
Authors/Journal
Authors: Yu-Mei Dai, Jin-Feng Huang, Hui-Ying Shen
Chemical
Name: 4,4'-Bipyridine bis(2-nitrobenzoic acid)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 7.44
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAWLOG
Authors/Journal
Authors: Yong-Tao Wang, Gui-Mei Tang, Da-Wei Qin
Chemical
Name: bis(2,5-Di-4-pyridyl-1,3,4-oxadiazole) succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.74
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAWSAY
Authors/Journal
Authors: A.Furlani, K.H.Hornemann, M.V.Russo, A.C.Villa, C.Guastini
Journal: Gazz.Chim.Ital. , 117, 429, 1987
Chemical
Name: 1,3,5-tris(1-Hydroxy-1-methylethyl)benzene 2,5-dimethylhex-3-
yne-2,5-diol
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GAWTON
Authors/Journal
Authors: V.I.Ponomarev, L.O.Atovmyan
Chemical
Formula: H18 B10 N2,H4 N2
Name: Hydrazine 1,7-diamminedecaborane(12)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: N2 H9 is 0.85,not 0.95
REFCODE: GAXKUO
Authors/Journal
Authors: A.Amani, Z.Derikvand, A.Azadbakht, B.Notash
Journal: Iranian Journal of Crystallography and Mineralogy , 25, 199,
2017
Chemical
Name: 3-nitrophthalic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.91
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAXSIJ01
Authors/Journal
Authors: C.Maheshwari, V.Andre, S.Reddy, L.Roy, T.Duarte, N.Rodriguez-
Hornedo
Chemical
Name: 2-azaspiro[4.5]decan-3-one hemikis(succinic acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 16.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GAZSOP
Authors/Journal
Authors: A.N.Chekhlov, Yu.P.Belov, I.V.Martynov, A.Yu.Aksinenko
1986
Chemical
Formula: C8 H20 N1 O3 P1,C11 H10 O7
Name: (+)-Diethyl (1-amino-1-methylpropyl)phosphonate monobenzoyl-
(+)-tartaric acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GEBLII
Authors/Journal
Authors: Y.Dobashi, S.Hara, Y.Iitaka
Chemical
Name: (S,S)-9,10-Dimethyl-9,10-dihydrophenanthrene-9,10-diol (R,R)-
N,N'-di-isopropyltartramide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GEFHEF
Authors/Journal
Chemical
Name: (S)-2-Aminobutanoic acid (R)-2-phenoxypropionic acid
Synonym:
Source:
Colour: colorless
Extra Information: for stereoisomer see [GEJLEN]
Experimental
R-Factor (%): 4.79
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEGNOV
Authors/Journal
Authors: J.C.Fitzmaurice, D.J.Williams, P.T.Wood, J.D.Woollins
Chemical
Formula: C50 H40 P8 Se8,2(C1 S2)
Name: 2,4-Diphenyl-2,4-bis(2',3',5'-triphenyl-3',5'-diseleno-1'-
selena-2',3',5'-triphospholan-4-ylidene)-1,3-diselena-2,4-diphosphetane bis(carbon
disulfide)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GEHROB
Authors/Journal
Authors: Ben-Yong Lou, Xiao-Dong Huang, Xiang-Chao Lin
Chemical
Formula: C11 H8 O3,0.5(C10 H8 N2)
Name: 3-Hydroxy-2-naphthoic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information: photoluminescent
Experimental
R-Factor (%): 5.42
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEHXEZ
Authors/Journal
Authors: D.Sivanesan, Min Hye Youn, Ki Tae Park, Hak Joo Kim, Soon Kwan
Jeong
Chemical
Formula: C30 H40 N2 O2,2(C14 H22 O2)
Name: 5,5',7,7'-tetra-t-butyl-2,2'-bi-1,3-benzoxazole bis(3,5-di-t-
butylbenzene-1,2-diol)
Synonym:
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 4.96
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEJLEN
Authors/Journal
Chemical
Name: (R)-2-Aminobutanoic acid (R)-2-phenoxypropionic acid
Synonym:
Source:
Colour: colorless
Extra Information: for stereoisomer see [GEFHEF]
Experimental
R-Factor (%): 3.5
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEKXEZ
Authors/Journal
Authors: T.Hokelek, R.Yagbasan
Chemical
Formula: C4 H12 N2,H1 Cl1
Name: t-Butylhydrazine hydrochloride
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GENLIV01
Authors/Journal
Authors: T.Sasaki, S.Sakamoto, S.Takamizawa
Chemical
Formula: 2(C7 H6 Cl1 N1 O1),C2 H2 O4
Name: bis(4-Chlorobenzamide) oxalic acid
Synonym: oxalic acid bis(4-chlorobenzamide)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.23
Temperature: 303
Intensity Meas: 3
Disorder:
CCDC Notes: A mother domain of a mechanically twinned crystal
REFCODE: GENLIV02
Authors/Journal
Authors: T.Sasaki, S.Sakamoto, S.Takamizawa
Chemical
Name: bis(4-Chlorobenzamide) oxalic acid
Synonym: oxalic acid bis(4-chlorobenzamide)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.61
Temperature: 303
Intensity Meas: 3
Disorder:
CCDC Notes: A daughter domain of a mechanically twinned crystal
REFCODE: GENTOJ
Authors/Journal
Authors: B.Shivachev, R.Petrova, E.Naydenova
Chemical
Formula: C8 H13 N3 O2,C6 H7 B1 O2
Name: 3-Amino-1,3-diazaspiro(4.5)decane-2,4-dione phenylboronic acid
Synonym: 3'-Aminocyclohexanespiro-5'-hydantoin phenylboronic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.15
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEPTIG
Authors/Journal
Authors: Baoli Dong, Mingliang Wang, Chunxiang Xu, Qi Feng, Yan Wang
Chemical
Name: 1-(5-(anthracen-10-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-
1-yl)ethanone.propandioic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.59
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEQROL
Authors/Journal
Authors: Lin-Lin Xu, Jia-Mei Chen, Yan Yan, Tong-Bu Lu
Chemical
Name: 2,4-Dihydroxybenzoic acid 1,7-dihydro-6H-purine-6-thione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GERWEF10
Authors/Journal
Authors: M.Yasui, T.Yabuki, M.Takama, S.Harada, N.Kasai, K.Tanaka,
F.Toda
Chemical
Name: N,N'-Dimethylpiperazine bis((+-)-1-(o-chlorophenyl)-1-
phenylprop-2-yn-1-ol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information: for stereoisomer see [GERWIJ]
Experimental
R-Factor (%): 6.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GERWIJ10
Authors/Journal
F.Toda
Chemical
Name: N,N'-Dimethylpiperazine bis((-)-1-(o-chlorophenyl)-1-
Synonym:
Source:
Melting Point:
Colour:
Extra Information: absolute configuration; for racemate see [GERWEF]
Experimental
R-Factor (%): 7.7
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GERYIN
Authors/Journal
Authors: B.Nath, J.B.Baruah
Chemical
Name: 4,4'-((4-(Dimethylamino)phenyl)methylene)bis(2,6-
dimethylphenol) 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.13
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GERYOR
Authors/Journal
Authors: Y.Aso, K.Yui, H.Ishida, T.Otsubo, F.Ogura, A.Kawamoto,
J.Tanaka
Chemical
Formula: C10 H8 S8,C12 H2 N4 S2
Name: 2,5-bis(Dicyanomethylene)-2,5-dihydro-thieno(3,2-b)thiophene
bis(ethylenedithio)tetrathiafulvalene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 7.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GESCAK
Authors/Journal
Authors: S.Tothadi, G.R.Desiraju
Chemical
Formula: 0.5(C7 H12 O4),C7 H7 N1 O2
Name: 4-hydroxybenzamide hemikis(heptanedioic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GESKIA
Authors/Journal
Authors: S.Varughese, S.B.Sinha, G.R.Desiraju
Journal: Sci.China.Chem. , 54, 1909, 2011
Chemical
Formula: C12 H8 N2,C7 H9 B1 O3
Name: (3-Methoxyphenyl)boronic acid 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.24
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Study temperature given as 566 K in CIF
REFCODE: GESSAY
Authors/Journal
Authors: P.Bruni, G.Tosi, G.Valle
Chemical
Name: 2-Benzamidopyridine 2,3-dichloro-5-cyano-6-hydroxybenzoquinone
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.24
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GETYIO
Authors/Journal
Authors: A.Kartal, C.Albayrak, N.O.Iskeleli, E.Agar, A.Erdonmez
Chemical
Name: bis(Pyridin-4-ol) hydroquinone
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEXMED
Authors/Journal
Authors: Haobin Zhang, Changyan Guo, Xiaochuan Wang, Jinjiang Xu, Xuan
He, Yu Liu, Xiaofeng Liu, Hui Huang, Jie Sun
Chemical
Formula: C6 N6 O6,C6 H3 N3 O6
Name: (bis[1,2,5]Oxadiazolo[3,4-e:3',4'-g][2,1,3]benzoxadiazole
1,4,7-trioxide) 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEYSAE
Authors/Journal
Authors: U.Patel, M.Haridas, T.P.Singh
Chemical
Name: 4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide 2-
hydroxybenzoic acid
Synonym: Sulfadimidine salicyclic acid; Sulfadimidine salicyclic acid;
Sulfamethazine salicyclic acid
Source:
Melting Point:
Colour:
Extra Information: antimicrobial agent
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GEYSAE01
Authors/Journal
Authors: A.K.Varma, R.K.Tiwari
Journal: J.T.R.Chem. , 6, 13, 1999
Chemical
Name: Sulfamethazine salicylic acid
Synonym: Sulfadimidine salicylic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.3
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEYYUE
Authors/Journal
Authors: G.-H.Lee, Y.Wang, K.Tanaka, F.Toda
Chemical
Name: (S)-(-)-10,10'-Dihydroxy-9,9'-biphenanthryl (S)-(-)-methyl 2-
chloro-propionate
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GEYZAL
Authors/Journal
Authors: G.-H.Lee, Y.Wang, K.Tanaka, F.Toda
Chemical
Name: (S)-(-)-10,10'-Dihydroxy-9,9'-biphenanthryl (S)-(-)-methyl 4-
chloro-3-hydroxybutyrate
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The bond lengths have been amended by the author
REFCODE: GIFMUD
Authors/Journal
Authors: H.J.Keller, R.Niebl, G.Renner, D.von der Ruhr, D.Schweitzer
Chemical
Name: 1,3,5-tris(Dimethylamino)benzene 1,3,5-tricyanobenzene
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIGCEE
Authors/Journal
Authors: B.Viossat, Nguyen-Huy Dung, J.C.Daran, J.C.Lancelot, M.Robba
Chemical
Name: Pyrido(2,3-h)pyrrolo(1,2-a)quinoxaline 7,7,8,8-tetracyano-p-
quinodimethane
Synonym:
Source:
Melting Point:
Colour: dark maroon
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIGLOX
Authors/Journal
Authors: D.Atzei, P.Deplano, E.F.Trogu, F.Bigoli, M.A.Pellinghelli,
A.Vacca
Chemical
Formula: C10 H16 N2 O2 S2,2(I2)
Name: N,N'-bis(Morpholino)-dithio-oxadiamide bis(di-iodine)
Synonym: bis(Morpholinothiocarbonyl) bis(di-iodine)
Source:
Melting Point:
Colour: red-brown
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIGWOI
Authors/Journal
Authors: Yu.A.Sharanin, A.M.Shestopalov, V.N.Nesterov, V.P.Litvinov,
V.Yu.Mortikov, V.K.Promonenkov, V.E.Shklover, Yu.T.Struchkov
Journal: Khim.Get.Soedin.,SSSR(Russ.)(Chem.Heterocycl.Compd.) , , 1377,
1987
Chemical
Formula: C6 H6 N4 S2,C1 H4 N2 O1
Name: 2-Amino-4-methylthio-5-cyano-6(1H)-pyrimidinethione urea
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIHBOQ
Authors/Journal
Authors: K.Suresh, N.Rajesh Goud, Ashwini Nangia
Chemical
Name: 4-Hydroxy-3-(2-(6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-
methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one 2-methoxyphenol
Synonym: Andrographolide guaiacol; PDB Chemical Component code: JZ3
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.61
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GIHBUW
Authors/Journal
Chemical
methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one benzene-1,3-
diol
Synonym: Andrographolide resorcinol
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.42
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GIHCAD
Authors/Journal
Chemical
methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one 2-
hydroxybenzoic acid
Synonym: Andrographolide salicylic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.51
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GIHCIL
Authors/Journal
Chemical
methylenedecahydronaphthalen-1-yl)ethylidene)dihydrofuran-2(3H)-one 4-hydroxy-3-
methoxybenzoic acid
Synonym: Andrographolide vanillic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GIHZIG
Authors/Journal
Authors: S.Kubiniok, W.-W.du Mont, S.Pohl, W.Saak
Chemical
Formula: C12 H10 Se2,I2
Name: Diphenyldiselenide iodine
Synonym:
Source:
Colour: reddish-black
Extra Information:
Experimental
R-Factor (%): 2.96
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIJNES
Authors/Journal
Authors: D.A.Pears, H.Shahriari-Zavareh, J.F.Stoddart, J.Crosby,
B.L.Allwood, D.J.Williams
Chemical
Formula: C40 H48 O10,H6 B1 N1
Name: 2,3,11,12-Tetra-anisyl-18-crown-6 ammonia-borane
Synonym: rel-(2R,3S,11R,12S)-2,3,11,12-tetrakis(4-Methoxyphenyl)-
1,4,7,10,13,16-hexaoxacyclo-octadecane ammonia-borane
Source:
Colour:
Extra Information: cis-cisoid-cis isomer
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIJNOC
Authors/Journal
Authors: D.A.Pears, H.Shahriari-Zavareh, J.F.Stoddart, J.Crosby,
B.L.Allwood, D.J.Williams
Chemical
Formula: C40 H48 O10,2(H6 B1 N1)
Name: 2,3,11,12-Tetra-anisyl-18-crown-6 bis(ammonia-borane)
Synonym: rel-(2R,3S,11S,12R)-2,3,11,12-tetrakis(4-Methoxyphenyl)-
1,4,7,10,13,16-hexaoxacyclo-octadecane bis(ammonia-borane)
Source:
Colour:
Extra Information: for stereoisomer see [GIJPAQ]; cis-transoid-cis isomer
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIJYUV
Authors/Journal
Authors: J.Fe F.Jose-Larong, Y.Takahashi, T.Inabe
Journal: Struct.Chem. , 24, 113, 2013
Chemical
Name: 2,2'-Cyclohexa-2,5-diene-1,4-diylidenedimalononitrile
5,10,15,20-tetramethylporphyrin
Synonym:
Source:
Melting Point:
Colour: blue
Extra Information:
Experimental
R-Factor (%): 9.51
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GIKKAM
Authors/Journal
Authors: M.R.Bryce, S.R.Davies, M.B.Hursthouse, M.Motevalli
Chemical
Name: Tetrathiafulvalene m-dinitrobenzene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.23
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIKVEB
Authors/Journal
Authors: C.Cohen-Addad, M.Consigny, G.D'Assenza, P.Baret
Chemical
Formula: C18 H20 O2 S2,C6 N4
Name: 5,8-Dimethoxy-2,11-dithia(3.3)paracyclophane
tetracycanoethylene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 2.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIMPAU
Authors/Journal
Authors: M.F.Serafin, K.A.Wheeler
Chemical
Name: 2-Aminopyrimidine 3,3,3-triphenylpropanoic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.66
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GIMZUY
Authors/Journal
Authors: A.Subashini, P.T.Muthiah, G.Bocelli, A.Cantoni
Chemical
Name: 2,6-Diaminopyrimidin-4(3H)-one 4-nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GIPCIR
Authors/Journal
Authors: S.Garcia-Blanco, G.Beurskens, P.T.Beurskens
Journal: Rec.Trav.Chim.Pays-Bas(Fr.)(Rec.J.R.Neth.Chem.Soc.) , 106,
543, 1987
Chemical
Name: 3,4-Dihydro-4-o-hydroxyphenyl-3,4a-diazobenzo(a)carbazole
dimethylformamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIPQAX
Authors/Journal
Authors: S.Chatterjee, V.R.Pedireddi, C.N.R.Rao
Chemical
Name: bis(Maleic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.04
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIPQEB
Authors/Journal
Authors: S.Chatterjee, V.R.Pedireddi, C.N.R.Rao
Chemical
Name: Fumaric acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.83
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIPQOL
Authors/Journal
Authors: Y.Dobashi, K.Kobayashi, N.Sato, A.Dobashi
Chemical
Name: (S,S)-7,7'-Bi(4,4-dimethyl-1,5-diaza-8-oxabicyclo(4.3.0)non-5-
ene) (S)-1,1'-bi-2-naphthol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIPQUR
Authors/Journal
Authors: Y.Dobashi, K.Kobayashi, N.Sato, A.Dobashi
Chemical
Name: (S,S)-7,7'-Bi(3,4-benzo-1,5-diaza-8-oxabicyclo(4.3.0)non-5-
ene) (S)-1,1'-bi-2-naphthol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIQRON
Authors/Journal
Authors: H.Zarrinmayeh, A.M.Nunes, P.L.Ornstein, D.M.Zimmerman,
M.B.Arnold, D.A.Schober, S.L.Gackenheimer, R.F.Bruns, P.A.Hipskind, T.C.Britton,
B.E.Cantrell, D.R.Gehlert
Chemical
Name: 3(R)-Ethyl (3-piperidinyl)propionate mandelic acid
Synonym:
Source:
Melting Point:
Colour: white
Experimental
R-Factor (%): 6.78
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GISGUK
Authors/Journal
Authors: D.E.Lynch, N.Mistry, G.Smith, K.A.Byriel, C.H.L.Kennard
Chemical
Name: Indole-2-carboxylic acid 5-nitroquinoline
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.47
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GISRAB
Authors/Journal
Authors: R.V.Batt, D.P.Bullivant, K.E.Elkington, S.E.Hill, J.Hilton,
T.J.Houghton, M.Hovell, S.C.Wallwork
Chemical
Formula: C18 H15 O1 P1,H1 N1 O3
Name: Triphenylphosphine oxide nitric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GISRAB01
Authors/Journal
Authors: A.N.Chekhlov
Chemical
Formula: C18 H15 O1 P1,H1 N1 O3
Name: Triphenylphosphine oxide nitric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The authors found an additional peak which they included in
the refinement as an oxygen atom, with an occupancy of 0.05 (atom OX); its chemical
identity was not established
REFCODE: GIVROS
Authors/Journal
Authors: C.R.Ramanathan, M.Periasamy
Chemical
Name: (11R,12R)-(+)-9,10-Dihydro-9,10-ethanoanthracene-11,12-
dicarboxylic acid (S)-proline
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.07
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GIVXUH
Authors/Journal
Authors: M.D.Raut, L.Giri, V.R.Pedireddi
Journal: Chem. Sel. , 3, 3194, 2018
Chemical
Name: cis,cis,cis-cyclohexane-1,2,4,5-tetracarboxylic acid 4,7-
phenanthroline
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 9.69
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GIVYAO
Authors/Journal
Chemical
Name: cis,cis,cis-cyclohexane-1,2,4,5-tetracarboxylic acid phenazine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.24
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GIVYOC
Authors/Journal
Chemical
Name: cis,cis,cis-cyclohexane-1,2,4,5-tetracarboxylic acid 2,2'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.3
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GIVYUI
Authors/Journal
Chemical
Name: cis,cis,cis-cyclohexane-1,2,4,5-tetracarboxylic acid 2,2'-
(ethene-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.46
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GIYHUS
Authors/Journal
Authors: Hui Guo, Jing Liu, Xiao-Wei Lu
Chemical
Formula: C10 H8 N2,2(C9 H9 N1 O6 S1)
Name: 4,4'-Bipyridine bis(3-(sulfonylglycine)benzoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.36
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GLAUED
Authors/Journal
Authors: E.M.Gopalakrishna, T.W.Adams, W.H.Watson, M.Betkouski,
T.J.Mabry
Chemical
Formula: 0.7(C23 H28 O9),0.3(C23 H28 O10)
Name: Glaucolide-E-glaucolide-D mixture
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GLUCUR20
Authors/Journal
Authors: R.L.Snyder, R.D.Rosenstein
1969, 1971
Chemical
Name: alpha-D-Glucose-urea complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GODQIZ
Authors/Journal
Authors: K.Chinnakali, H.-K.Fun, S.Goswami, A.K.Mahapatra, G.D.Nigam
Chemical
Name: 2-Aminopyrimidine p-phenylenediacetic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GODTUO
Authors/Journal
Authors: E.S.Lavender, G.Ferguson, C.Glidewell
Chemical
Name: 2,2'-Biphenol 4,4'-bipyridyl
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.77
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GOGFOA01
Authors/Journal
Authors: P.K.Goswami, V.Kumar, A.Ramanan
Chemical
Formula: 2(C14 H11 Cl2 N1 O2),C12 H12 N2
Name: bis([2-(2,6-dichloroanilino)phenyl]acetic acid) 4,4'-(ethane-
1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.59
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOGGAN01
Authors/Journal
Chemical
Name: [2-(2,6-dichloroanilino)phenyl]acetic acid 4,4'-bipyridine
Synonym: bis(diclofenac) 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information: diclofenac is a non-steroidal anti-inflammatory analgaesic
Experimental
R-Factor (%): 5.89
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOGWEG
Authors/Journal
Authors: R.T.Stibrany, J.A.Potenza
Chemical
Name: 4,5-dimethylbenzene-1,2-diamine bis(N,N-dimethylaniline)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.16
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOGYEJ
Authors/Journal
Authors: R.Manickam, M.Prabhaharan, G.Jagadeesan, V.Rajakannan,
G.Srinivasan
Chemical
Name: 6-chloropyridin-2-amine pentanedioic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.26
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOHYUZ
Authors/Journal
Authors: D.Britton
Chemical
Formula: C14 H10,C8 Cl4 N2
Name: 3,4,5,6-Tetrachlorophthalonitrile anthracene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.05
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOJZUC
Authors/Journal
Authors: A.Ilyukhin, S.Petrosyants
Chemical
Formula: C12 H24 O6,2(C2 N2 S1)
Name: Cyanic thiocyanate 1,4,7,10,13,16-hexaoxacyclo-octadecane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOKBAL
Authors/Journal
Authors: A.Ilyukhin, S.Petrosyants
Chemical
Name: 4,4'-Bipyridine succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 293
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOKCEQ
Authors/Journal
Authors: A.Ilyukhin
Chemical
Name: Formic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOKPAA01
Authors/Journal
Authors: Yoshio Yano, T.Ono, S.Hatanaka, D.T.Gryko, Y.Hisaeda
Chemical
Name: 1,4-bis(4-methylphenyl)-2,5-bis(pyridin-3-yl)-1,4-
dihydropyrrolo[3,2-b]pyrrole bis(phenol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOKPII01
Authors/Journal
Chemical
dihydropyrrolo[3,2-b]pyrrole bis(3,4,5-trifluorophenol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.78
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOKPUU01
Authors/Journal
Chemical
dihydropyrrolo[3,2-b]pyrrole bis(pentafluorophenol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.87
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOKQIJ01
Authors/Journal
Chemical
dihydropyrrolo[3,2-b]pyrrole bis(3,4,5-trifluorobenzoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.19
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOKQUV
Authors/Journal
Chemical
dihydropyrrolo[3,2-b]pyrrole bis(2-hydroxybenzoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.24
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GOPGEX
Authors/Journal
Authors: Y.Abe, H.Kayakiri, S.Satoh, T.Inoue, Y.Sawada, N.Inamura,
M.Asano, I.Aramori, C.Hatori, H.Sawai, T.Oku, H.Tanaka
Chemical
Name: bis(8-Hydroxy-2-methylquinoxaline) hydroquinone
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GOPJUQ
Authors/Journal
Authors: D.E.Lynch, G.Smith, K.A.Byriel, C.H.L.Kennard
Chemical
Name: Indole-2-carboxylic acid 3,5-dinitrobenzoic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GOPKUR
Authors/Journal
Authors: M.Fourmigue, K.Boubekeur, P.Batail, J.Renouard, G.Jacob
Chemical
Name: Tetrathiafulvalene hexanitrostilbene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GOPLAY
Authors/Journal
Authors: M.Fourmigue, K.Boubekeur, P.Batail, J.Renouard, G.Jacob
Chemical
Formula: C6 H4 S4,C6 N12 O2
Name: Tetrathiafulvalene tetrazidoquinone
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GORGUR
Authors/Journal
Authors: F.Fischer, G.Scholz, L.Batzdorf, M.Wilke, Franziska Emmerling
Chemical
Name: bis(3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione) oxalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUCMOH
Authors/Journal
Authors: V.F.Traven, I.V.Ivanov, V.S.Lebedev, B.G.Milevskii,
T.A.Chibisova, N.P.Solov'eva, V.I.Polshakov, O.N.Kazheva, G.G.Alexandrov,
O.A.Dyachenko
Journal: Mendeleev Commun. , 19, 214, 2009
Chemical
Name: (E)-3-((Benzylamino)methylene)-2H-chromene-2,4(3H)-dione (Z)-
3-((benzylamino)methylene)-2H-chromene-2,4(3H)-dione
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.53
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUDNAU
Authors/Journal
Authors: A.T.Carmona, P.Borrachero, F.Cabrera-Escribano, M.J.Dianez,
M.D.Estrada, A.Lopez-Castro, R.Ojeda, M.Gomez-Guillen, S.Perez-Garrido
Chemical
Name: Methyl 3-deoxy-3-C-methyl-3-nitro-alpha-D-glucopyranoside
methyl 3-deoxy-3-C-methyl-3-nitro-beta-L-glucopyranoside
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.74
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GUFDOB
Authors/Journal
Authors: Yi-feng Sun, Shi-ying Ma, Dong-di Zhang, Xue-li Cheng
Journal: Yingxiang Kexue Yu Guang Huaxue(Chin.)(Imaging Science and
Photochemistry) , 26, 393, 2008
Chemical
Name: Ethyl 8-methoxy-2-oxo-2H-chromene-3-carboxylate 1,3-
benzothiazol-2-amine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUFNEC
Authors/Journal
Authors: S.dAgostino, F.Grepioni, D.Braga, B.Ventura
Chemical
Name: 1,1'-Ethyne-1,2-diyldibenzene 1,2,4,5-tetrafluoro-3,6-di-
iodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.54
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUFNIG
Authors/Journal
Chemical
Formula: C14 H10,2(C6 F4 I2)
Name: 1,1'-Ethyne-1,2-diyldibenzene bis(1,2,4,5-tetrafluoro-3,6-di-
iodobenzene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.83
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUFNOM
Authors/Journal
Chemical
Name: 1,1'-Ethene-1,2-diyldibenzene 1,2,4,5-tetrafluoro-3,6-di-
iodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.33
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUGDIV
Authors/Journal
Authors: T.Smolka, R.Sustmann, R.Boese
Journal: J.Prakt.Chem.-Chem.-Zeitung , 341, 378, 1999
Chemical
Name: 1,2-Diphenyl-1,2-ethanediol phenazine
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.32
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GUJHOJ
Authors/Journal
Authors: J.Holt, A.M.Maj, E.P.Schudde, K.M.Pietrusiewicz, L.Sieron,
W.Wieczorek, T.Jerphagnon, I.W.C.E.Arends, U.Hanefeld, A.J.Minnaard
Journal: Synthesis , , 2061, 2009
Chemical
Name: ((R,R),R)-O,O'-Dibenzoyltartaric acid t-butylphenylphosphine
oxide
Synonym:
Source:
Colour: colorless
Extra Information: for stereoisomer see [GUJHUP]
Experimental
R-Factor (%): 3.48
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUJHUP
Authors/Journal
Authors: J.Holt, A.M.Maj, E.P.Schudde, K.M.Pietrusiewicz, L.Sieron,
W.Wieczorek, T.Jerphagnon, I.W.C.E.Arends, U.Hanefeld, A.J.Minnaard
Journal: Synthesis , , 2061, 2009
Chemical
Name: ((R,R),S)-O,O'-Dibenzoyltartaric acid t-butylphenylphosphine
oxide
Synonym:
Source:
Colour: colorless
Extra Information: for stereoisomer see [GUJHOJ]
Experimental
R-Factor (%): 4.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GULYOB
Authors/Journal
Authors: Kunxiu Gao, N.S.Goroff
Chemical
Formula: C6 I2,C18 H15 O1 P1
Name: Triphenylphosphine oxide 1,6-diiodohexa-1,3,5-triyne
Synonym: Diiodotriacetylene triphenylphosphine oxide
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GUNCOJ
Authors/Journal
Authors: Hao Sun, Mingliang Wang, Xiang Wei, Ruimin Zhang, Shengzhi
Wang, Arshad Khan, R.Usman, Qi Feng, Man Du, Fangfang Yu, Wei Zhang, Chunxiang Xu
Chemical
Formula: C25 H16 O1,1.5(C12 H4 N4)
Name: 1-Phenyl-3-(pyren-1-yl)prop-2-en-1-one sesquikis(2,2'-
cyclohexa-2,5-diene-1,4-diylidenedimalononitrile)
Synonym: 1-Phenyl-3-(pyren-1-yl)prop-2-en-1-one sesquikis(7,7,8,8-
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 10.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUNCUP
Authors/Journal
Authors: Hao Sun, Mingliang Wang, Xiang Wei, Ruimin Zhang, Shengzhi
Wang, Arshad Khan, R.Usman, Qi Feng, Man Du, Fangfang Yu, Wei Zhang, Chunxiang Xu
Chemical
Formula: C25 H16 O1,0.5(C12 H4 N4)
Name: 1-Phenyl-3-(pyren-1-yl)prop-2-en-1-one hemikis(2,2'-cyclohexa-
2,5-diene-1,4-diylidenedimalononitrile)
Synonym: 1-Phenyl-3-(pyren-1-yl)prop-2-en-1-one hemikis(7,7,8,8-
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 7.01
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUNWUJ
Authors/Journal
Authors: A.Pallipurath, J.M.Skelton, A.Delori, C.Duffy, A.Erxleben,
W.Jones
Chemical
Name: 2-Hydroxy-1,4-naphthoquinone pyridin-2(1H)-one
Synonym: Lawsone pyridin-2(1H)-one
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUPWIY
Authors/Journal
Chemical
Name: 1-Carboxylatomethyl-1-azoniabicyclo[2.2.2]octane 4-
hydroxybenzoic acid
Synonym: Quinuclidine betaine p-hydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUPXEX
Authors/Journal
Authors: M.N.Arshad, M.M.Hussain, A.M.Asiri, M.Khalid, A.A.C.Braga,
M.M.Rahman
Chemical
Name: N'-[(naphthalen-1-yl)methylidene]benzenesulfonohydrazide
naphthalene-1-carbaldehyde
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 7.56
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GURHUW
Authors/Journal
Authors: J.-C.Wallet, E.Espinosa, E.Molins, C.Miravitlles
Chemical
Name: 2',6'-Dimethoxyflavone bromoacetic acid
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 7.47
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: GUTNOY
Authors/Journal
Authors: V.S.S.Kumar, A.Nangia, M.T.Kirchner, R.Boese
Chemical
Name: bis(5-Nitrosalicylic acid) 1,4-dioxane
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUYBUX
Authors/Journal
Authors: Ying Wu, Jing Zhang, Xue-liang Hou, Ling Ye, Guang-di Yang,
Li-xin Wu
Journal: Chem.Res.Chin.Univ. , 18, 471, 2002
Chemical
Formula: C12 H10 N2,2(C10 H20 O2)
Name: 1,2-bis(4-Pyridyl)ethylene bis(decanoic acid)
Synonym: 1,2-bis(4-Pyridyl)ethylene bis(capric acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.3
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUYYIL02
Authors/Journal
Authors: L.K.Saunders, H.Nowell, L.E.Hatcher, H.J.Shepherd, S.J.Teat,
D.R.Allan, P.R.Raithby, C.C.Wilson
Chemical
Name: N,N-dimethylurea 2,4-dinitrobenzoate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.32
Temperature: 300
Intensity Meas: 3
Disorder:
Extra Information: synchrotron; Hirshfeld Atom Refinement; 300 K
CCDC Notes:
REFCODE: GUZVEF01
Authors/Journal
Chemical
Name: N,N-dimethylurea bis(benzene-1,2-dicarboxylic acid)
Synonym: N,N-dimethylurea bis(phthalic acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.16
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GUZXAD07
Authors/Journal
Chemical
Name: N,N-dimethylurea 3,5-dinitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.92
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HABFOG
Authors/Journal
Authors: A.Roy, A.Choudhury, C.N.R.Rao
Chemical
Name: Melamine bis(boric acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HABFOG01
Authors/Journal
Authors: Jian Yang, Tai Qiu, Zhi-shun Li, Chun-ying Shen
Journal: Huaxue Yanjiu Yu Yingyong(Chin.)(Chem.Res.Appln.) , 18, 21,
2006
Chemical
Name: 1,3,5-Triazine-2,4,6-triamine bis(boric acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HACKII
Authors/Journal
Authors: O.H.Rubio, R.Taouil, F.M.Muniz, L.M.Monleon, L.Simon, F.Sanz,
J.R.Moran
Chemical
Name: 6-chloro-8-(((4-chlorophenyl)carbamoyl)amino)-N$2!,4,4-
trimethyl-N'$2!-(3-(1,4,7,10,13-pentaoxa-16-azacyclooctadecan-16-ylmethyl)phenyl)-
chromane-2,2-dicarboxamide D,L-alanine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [HACKOO]
Experimental
R-Factor (%): 6.49
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HACKOO
Authors/Journal
J.R.Moran
Chemical
chromane-2,2-dicarboxamide L-alanine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for racemate see [HACKII]
Experimental
R-Factor (%): 5.93
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HACKUU
Authors/Journal
J.R.Moran
Chemical
chromane-2,2-dicarboxamide glycine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.77
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAFSUF
Authors/Journal
Authors: B.R.Bhogala, B.Captain, V.Ramamurthy
Journal: Photochem.Photobiol. , 91, 696, 2015
Chemical
Name: urea 4-(2-(4-chlorophenyl)vinyl)pyridine
Synonym: Urea 4'-chloro-4-stilbazole
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.31
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAGGUU
Authors/Journal
Chemical
Name: bis(urea) 2,2'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAGHAB
Authors/Journal
Chemical
Name: bis(urea) 2-(2-(pyridin-4-yl)vinyl)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.07
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAGHEF
Authors/Journal
Chemical
Name: tris(urea) 2-(2-(pyridin-3-yl)vinyl)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.98
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAGHIJ
Authors/Journal
Chemical
Name: bis(urea) 4,4'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.79
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAGHOP
Authors/Journal
Chemical
Name: urea 4-(2-(pyridin-4-yl)vinyl)benzonitrile
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.09
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAGYEU
Authors/Journal
Authors: M.Alagar, R.V.Krishnakumar, M.S.Nandhini, S.Natarajan
Chemical
Name: bis(DL-Valine) fumaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [OXEMEL], [VIKLUX]
Experimental
R-Factor (%): 5.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAJHAF
Authors/Journal
Authors: S.N.Karanth, B.Narayana, B.K.Sarojini, S.Madan Kumar,
K.Byrappa
Journal: Chem. Data Collect. , 19, 100179, 2019
Chemical
Name: N-(1-(5-sulfanylidene-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2-(2-
thienyl)vinyl)acetamide N,N-dimethylformamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HALZUP
Authors/Journal
Authors: M.P.Byrn, C.J.Curtis, Yu.Hsiou, S.I.Khan, P.A.Sawin,
S.K.Tendick, A.Terzis, C.E.Strouse
Chemical
Formula: C44 H10 F20 N4,2(C4 H8 O2)
Name: tetrakis(Pentafluorophenyl)porphyrin bis(1,4-dioxane)
Synonym:
Source:
Melting Point:
Colour: yellow-brown
Extra Information:
Experimental
R-Factor (%): 10.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HAPYUS
Authors/Journal
Authors: D.E.Lynch, G.Smith, N.J.Calos, C.H.L.Kennard, A.K.Whittaker,
K.S.Jack, A.C.Willis
Chemical
Formula: C18 H15 O1 P1,C7 H3 N3 O8
Name: Triphenylphosphine oxide 2,4,6-trinitrobenzoic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 15.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Alpha is 83.85, not 88.85
REFCODE: HAPZAZ
Authors/Journal
Authors: D.E.Lynch, G.Smith, N.J.Calos, C.H.L.Kennard, A.K.Whittaker,
K.S.Jack, A.C.Willis
Chemical
Name: Triphenylphosphine oxide 3,5-dinitrobenzoic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HAVLIC
Authors/Journal
Authors: J.Harada, M.Ohtani, Y.Takahashi, T.Inabe
Chemical
Formula: C12 H18,C8 Br4 O3
Name: 4,5,6,7-tetrabromo-2-benzofuran-1,3-dione hexamethylbenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.64
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAYCOZ01
Authors/Journal
Authors: H.Taniguchi, K.Hayashi, K.Nishioka, Y.Hori, M.Shiro,
T.Kitamura
Chemical
Name: tetrakis(Phenylethynyl)ethene 2,4,7-trinitrofluorenone
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HAYJIA
Authors/Journal
Authors: Y.Takahashi, S.Morishima, K.Wakamatsu, T.Suzuki, T.Miyashi
Chemical
Formula: C18 H24 O2,C6 N4
Name: Octamethylnaphthalene endoperoxide tetracyanoethylene
Synonym:
Source:
Colour: deep violet
Extra Information:
Experimental
R-Factor (%): 10.81
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HAYYOW
Authors/Journal
Authors: D.Britton
Chemical
Formula: C16 H10,C8 Cl4 N2
Name: 2,4,5,6-Tetrachloro-1,3-dicyanobenzene pyrene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAZGUL
Authors/Journal
Authors: E.A.Krafft, A.Kurt, A.Maier, A.W.Thomas, D.Zimmerli
Journal: Synthesis , 2005, 3245, 2005
Chemical
Formula: C14 H17 F1 N2 O1,C10 H16 O4 S1
Name: (R)-4-(4-Fluorophenyl)-2,8-diazaspiro(4.5)decan-1-one (1R)-
(-)-camphorsulfonic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.19
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HBIPSH
Authors/Journal
Authors: J.C.Barnes, A.Hetherington
2146, 1978
Chemical
Name: 2,3-Dihydrobenzimidazole-2-spirocyclohexane 5,6-(N,N'-
dipiperidino)-isobenzimidazole-2-spirocyclohexane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HBTBBZ
Authors/Journal
Authors: G.Gafner, F.H.Herbstein
Chemical
Formula: C6 Br6,C6 H2 Br4
Name: Hexabromobenzene-1,2,4,5-tetrabromobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 14.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HEBFAX
Authors/Journal
Authors: P.Sanphui, S.S.Kumar, A.Nangia
Chemical
Name: 5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 4-
aminobenzoic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HEBFEB
Authors/Journal
Authors: P.Sanphui, S.S.Kumar, A.Nangia
Chemical
Name: 5-Chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide 1,3-
dimethyl-3,7-dihydro-1H-purine-2,6-dione
Synonym: niclosamide theophylline
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.14
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HECREM
Authors/Journal
Authors: V.L.Rusinov, A.V.Myasnikov, O.N.Chupakhin, G.G.Aleksandrov
1992
Chemical
Name: 4-Nitropyrazole 3-methyl-5-amino-1,2,4-triazole
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HEGHEJ
Authors/Journal
Authors: M.Chahkandi, M.H.Bhatti, U.Yunus, N.Rehman, M.Nadeem,
M.N.Tahir, M.Zakria
Chemical
Formula: C11 H9 N1 O4,0.5(C10 H8 N2)
Name: 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.28
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HELGUC
Authors/Journal
Authors: J.Lieffrig, O.Jeannin, T.Guizouarn, P.Auban-Senzier,
M.Fourmigue
Chemical
Formula: C8 H5 I1 S6,C12 F4 N4
Name: 2,2'-(2,3,5,6-Tetrafluorocyclohexa-2,5-diene-1,4-
diylidene)dimalononitrile 2-(4-iodo-1,3-dithiol-2-ylidene)-5,6-
dihydro[1,3]dithiolo[4,5-b][1,4]dithiine
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HELHAJ
Authors/Journal
M.Fourmigue
Chemical
Formula: C8 H5 I1 S6,0.5(C12 H2 F2 N4)
Name: 2,2'-(2,5-Difluorocyclohexa-2,5-diene-1,4-
diylidene)dimalononitrile 2-(4-iodo-1,3-dithiol-2-ylidene)-5,6-
dihydro[1,3]dithiolo[4,5-b][1,4]dithiine
Synonym:
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 5.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HELHEN
Authors/Journal
M.Fourmigue
Chemical
Formula: C8 H5 I1 S6,C12 H4 N4
Name: 2,2'-Cyclohexa-2,5-diene-1,4-diylidenedimalononitrile 2-(4-
iodo-1,3-dithiol-2-ylidene)-5,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiine
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HEMDUB
Authors/Journal
Authors: Qiangwen Fan, Xiaowei Duan, Hong Yan
Chemical
Name: thiourea 1,1'-(2,3-dimethylpyrazine-1,4-diyl)bis(ethan-1-one)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.46
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HEMFAJ
Authors/Journal
Authors: Qiangwen Fan, Xiaowei Duan, Hong Yan
Chemical
Name: thiourea 1,1'-(2,5-dimethylpyrazine-1,4-diyl)bis(ethan-1-one)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HEPKES
Authors/Journal
Authors: H.Koshima, Xinkan Yao, Honggen Wang, Ruji Wang, Teruo Matsuura
Chemical
Formula: 2(C10 H12 O2),C10 H14
Name: bis(Duroquinone) durene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 11.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HEPMIY
Authors/Journal
Authors: A.Pastor, R.Alajarin, J.J.Vaquero, J.Alvarez-Builla, M.Fau de
Casa-Juana, C.Sunkel, J.G.Priego, I.Fonseca, J.Sanz-Aparicio
Chemical
Formula: C18 H15 O1 P1,C16 H14 Cl1 N3 O3 S1
Name: Triphenylphosphine oxide methyl 5-(3'-chlorophenyl)-7-methyl-
4-oxo-2-thioxo-1,2,3,4,5,8-hexahydropyrido(2,3-d)pyrimidine-6-carboxylate
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HEQZOT
Authors/Journal
Authors: T.Friscic, L.R.MacGillivray
Chemical
Name: 2,3-bis(4-pyridylthiomethyl)naphthalene fumaric acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HEVTOS
Authors/Journal
Authors: Feng-Rong Dai, Li Xu
Chemical
Formula: C24 H48 K2 O12 P11,C16 H40 K1 N4 O6
Name: (mu!2$-Undecaphosphorus)-bis(18-crown-6)-di-potassium
bis(ethylene-1,2-diamine-N)-(18-crown-6)-potassium
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.44
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HEXAIF10
Authors/Journal
Chemical
Name: Hexamethylenetetramine-iodoform complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HEYGIE
Authors/Journal
Authors: M.Gryl, T.Seidler, J.Wojnarska, K.Stadnicka, I.Matulkova,
I.Nemec, P.Nemec
Chemical
Name: 5,5-diethylpyrimidine-2,4,6(1H,3H,5H)-trione bis(5-
nitropyridin-2-amine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.08
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HEZSIO
Authors/Journal
Authors: M.D.Hollingsworth, M.E.Brown, B.D.Santarsiero, J.C.Huffman,
C.R.Goss
Chemical
Name: Pimelonitrile urea
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HIBFED
Authors/Journal
Authors: J.H.Loehlin, M.C.Etter, C.Gendreau, E.Cervasio
Chemical
Name: Piperazine bis(phenol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HIBFIH
Authors/Journal
Chemical
Name: trans-2,5-Dimethylpiperazine bis(phenol)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The space group is P21/n, not P21/c
REFCODE: HIBFON
Authors/Journal
Chemical
Name: Ethylenediamine bis(phenol)
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HIBGII
Authors/Journal
Authors: A.T.Ung, R.Bishop, D.C.Craig, I.G.Dance, M.L.Scudder
Chemical
Name: 2,7-Dimethyltricyclo(4.3.1.1$3,8!)undecane-syn-2,syn-7-diol p-
chlorophenol
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HIBGOP
Authors/Journal
Authors: L.S.Reddy, P.M.Bhatt, R.Banerjee, A.Nangia, G.J.Kruger
Chemical
Formula: C7 H1 F5 O2,C7 H2 F5 N1 O1
Name: Pentafluorobenzoic acid pentafluorobenzamide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.96
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HIBJUX
Authors/Journal
Authors: J.A.Zerkowski, J.C.MacDonald, G.M.Whitesides
Chemical
Formula: C8 H12 N2 O3,C16 H12 I1 N7
Name: Barbital N'-(p-cyanophenyl)-N-(p-iodophenyl)melamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HIBKAE
Authors/Journal
Authors: J.A.Zerkowski, J.C.MacDonald, G.M.Whitesides
Chemical
Name: 5,5-Dimethylbarbituric acid N,N'-diphenylmelamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.85
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HICTOD
Authors/Journal
Authors: A.Rivera, D.Gonzalez-Salas, J.Rios-Motta, A.Hernandez-
Barragan, P.Joseph-Nathan
Chemical
Name: 1,3,6,8-Tetra-azatricyclo(4.3.1.1$3,8!)undecane hydroquinone
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.04
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HICWUM
Authors/Journal
Authors: A.Cappelli, S.Galeazzi, G.Giuliani, M.Anzini, A.Donati,
L.Zetta, R.Mendichi, M.Aggravi, G.Giorgi, E.Paccagnini, S.Vomero
Journal: Macromolecules , 40, 3005, 2007
Chemical
Name: N,N-Dimethyl-1-methylene-3-(4-methylphenyl)-1H-2-
indenecarboxamide toluene-4-sulfonic acid
Synonym:
Source:
Colour: yellow-orange
Extra Information:
Experimental
R-Factor (%): 4.64
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HIDWAT
Authors/Journal
Authors: C.R.Maldonado, M.Quiros, J.M.Salas
Chemical
Name: 4,6-Dimethyl-2H-1,2,3-triazolo(4,5-d)pyrimidine-5,7(4H,6H)-
dione 4,7-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.29
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HIFZIF
Authors/Journal
Authors: P.J.de Bruyn, R.W.Gable, A.C.Potter, D.H.Solomon
Chemical
Name: 1,3,5,7-Tetra-azatricyclo(3.3.1.1$3,7!)decane 4,4',4''-
(nitrilomethylene)-tris(2,6-dimethylphenol)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.53
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HIFZUR
Authors/Journal
Authors: Qing-chuang Yang, Dan-mei Huang, Hui-ying Chen, You-qi Tang
Chemical
Name: 1,5-Diphenylbiuret phenyl carbamidonitrile
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.78
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HIGFEI
Authors/Journal
Authors: D.A.Leigh, K.Moody, J.P.Smart, K.J.Watson, A.M.Z.Slawin
Chemical
Name: (2)-bis(3,11-Diaza-17,28-
dioxatetracyclo(26.2.2.2$13,16!.1$5,9!)hexatria conta-
1(31),5,7,9(34),13,15,29,32,35-nonaen-4,10,18,27-tetraone)-catenane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 19.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HIGPUJ05
Authors/Journal
Authors: B.Averkiev, R.Isaac, E.V.Jucov, V.N.Khrustalev, C.Kloc,
L.E.McNeil, T.V.Timofeeva
Chemical
tetracene
Synonym: Tetracene 7,7,8,8-tetracyanoquinodimethane
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.97
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HIHPEU
Authors/Journal
Authors: Tingfeng Tan
Chemical
Name: bis(2-Chloro-5-nitro-benzoic acid) 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.67
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HIJBOR
Authors/Journal
Authors: M.Kubicki, T.W.Kindopp, M.V.Cappareli, P.W.Codding
Chemical
Name: 5,7-Dichloro-1,4-dihydro-2,3-quinoxalinedione
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information: agent exhibiting antagonist activity in the neurotransmission
Experimental
R-Factor (%): 4.25
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HILJAP
Authors/Journal
Authors: Ying-Yu Qi, Shu-Xia Zhang
Chemical
Name: bis(chloroacetic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.88
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HIRVUZ
Authors/Journal
Authors: M.A.Beckett, D.E.Hibbs, M.B.Hursthouse, K.M.A.Malik, P.Owen,
K.S.Varma
Chemical
Formula: C54 H45 B1 O3 Si3,C18 H16 O1 Si1
Name: tris(Triphenylsiloxy)borane triphenylsilanol
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.94
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HISGEY
Authors/Journal
Authors: A.Abou, L.Akonan, F.Koblavi-Mansilla, A.J.N'gouan, K.R.Kambo
Chemical
Name: 2-(carboxymethyl)benzoic acid 3-hydroxy-3-methyl-3,4-dihydro-
1H-2-benzopyran-1-one
Synonym: 3-Hydroxy-3-methyl-isochroman-1-one 2-carboxymethyl-benzoic
acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.37
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HISROS
Authors/Journal
Authors: Sandipan Roy, K.Biradha
Chemical
Name: Biphenyl-2,2',6,6'-tetracarboxylic acid 4,4'-bipyridine 1,1'-
dioxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HISZEQ
Authors/Journal
Authors: Xue Pang, Xiao Ran Zhao, Hui Wang, Hao-Ling Sun, Wei Jun Jin
Chemical
Formula: C16 H22 N1 O3,2(C6 F4 I2)
Name: 1-Oxy-2,2,6,6-tetramethylpiperidin-4-yl benzoate bis(1,2,3,4-
tetrafluoro-5,6-diiodobenzene)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 2.85
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HISZIU
Authors/Journal
Authors: Xue Pang, Xiao Ran Zhao, Hui Wang, Hao-Ling Sun, Wei Jun Jin
Chemical
Name: 1-Oxy-2,2,6,6-tetramethylpiperidin-4-yl benzoate 1,2,4,5-
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 2.71
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HIVGAW01
Authors/Journal
Authors: Ning Liu, Binghui Duan, Xianming Lu, Qian Zhang, Minghui Xu,
Hongchang Mo, Bozhou Wang
Chemical
Name: 1,3,4,7,8,10-hexanitrooctahydro-1H-5,2,6-
(epiminomethanetriylimino)imidazo[4,5-b]pyrazine 7H-tris[1,2,5]oxadiazolo[3,4-
b:3',4'-d:3'',4''-f]azepine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.66
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HIYCAT
Authors/Journal
Authors: E.S.Lavender, R.M.Gregson, G.Ferguson, C.Glidewell
Chemical
Name: 2,2'-Biphenol 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HMCPZI
Authors/Journal
Authors: P.L.Markila, J.Trotter
Chemical
Formula: C6 H18 N3 P3,I2
Name: Hexamethylcyclotriphosphazene-iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HMPASN
Authors/Journal
Authors: R.Steudel, F.Rose, J.Pickardt
Chemical
Formula: C6 H18 N3 O1 P1,2(H1 N1 S7)
Name: Hexamethylphosphamide bis(heptasulfurimide)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HMTATV
Authors/Journal
Authors: P.-Y.Yu, T.C.W.Mak
3053, 1978
Chemical
Name: Hexamethylenetetramine-oxide thiourea
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.9
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HMTFCQ
Authors/Journal
Authors: D.Chasseau, G.Comberton, J.Gaultier, C.Hauw
689, 1978
Chemical
Name: Hexamethylenetetrathiofulvalene-7,7,8,8-
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HMTHQU
Authors/Journal
Authors: T.C.W.Mak, C.-S.Tse, Y.-H.Chong, F.-C.Mok
2980, 1977
Chemical
Name: Hexamethylenetetramine-hydroquinone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.9
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HMTMCR
Authors/Journal
Authors: T.C.W.Mak, W.-H.Yu, Y.-S.Lam
2061, 1978
Chemical
Name: Hexamethylenetetramine bis(m-cresol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.9
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HMTOFA
Authors/Journal
Authors: Y.-S.Lam, T.C.W.Mak
1915, 1978
Chemical
Name: Hexamethylenetetramine-oxide formic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.5
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HMTOFA06
Authors/Journal
Authors: C.L.Nygren, C.C.Wilson, J.F.C.Turner
Chemical
Name: Hexamethylenetetramine-N-oxide formic acid
Synonym: Urotropine-N-oxide formic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.09
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HMTOHQ
Authors/Journal
Authors: J.Trotter, T.C.W.Mak
2367, 1979
Chemical
Name: Hexamethylenetetramine-oxide hydroquinone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HMTTPO10
Authors/Journal
Authors: T.H.Jordan, T.C.W.Mak
Chemical
Name: Hexamethylenetetramine tri(phenol) complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.1
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HOCCEJ
Authors/Journal
Authors: N.Rajesh Goud, Ronaq Ali Khan, Ashwini Nangia
Chemical
Name: bis(N-((4-Aminophenyl)sulfonyl)acetamide) 4,4'-bipyridine
Synonym: bis(Sulfacetamide) 4,4'-bipyridine
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.04
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOCCOT
Authors/Journal
Authors: N.Rajesh Goud, Ronaq Ali Khan, Ashwini Nangia
Chemical
Name: N-4-Aminophenylsulfonylacetamide bis(pyridine-4-carboxamide)
Synonym: Sulfacetamide bis(isonicotinamide)
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.07
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HODMLN
Authors/Journal
Authors: R.Kaufmann, A.Knochel, J.Kopf, J.Oehler, G.Rudolph
Journal: Chem.Ber. , 110, 2249, 1977
Chemical
Name: 1,4,7,10,13,16-Hexaoxacyclo-octadecane bis(malononitrile)
Synonym: 18-Crown-6 bis(malononitrile)
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: VOLUME AND M.W. AGREE WITH AUTHORS' VALUES, OUR DENSITY IS
1.22 PUBLISHED 1.15
REFCODE: HOFJOC
Authors/Journal
Authors: Yong-Tao Wang, Gui-Mei Tang, Wen-Zhu Wan
Chemical
Name: Naphthalene-2,3-diol imidazole
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.09
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOFYUZ
Authors/Journal
Authors: S.Tothadi, A.Phadkule
Chemical
Name: nonanedioic acid bis(pyridine-4-carboxamide)
Synonym: azelaic acid bis(isonicotinamide)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.89
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOGFIU01
Authors/Journal
Authors: Yanghui Luo, Baiwang Sun
Chemical
Name: bis(pyridine-2-carboxamide) succinic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.07
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOGGAN01
Authors/Journal
Chemical
Name: pyridine-2-carboxamide adipic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.24
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOGLEX
Authors/Journal
Authors: G.Campillo-Alvarado, Changan Li, D.C.Swenson, L.R.MacGillivray
Chemical
Name: 4,4'-(ethene-1,2-diyl)dipyridine bis(2,4,6-trichlorophenol)
Synonym: 1,2-bis(4-pyridyl)ethylene bis(2,4,6-trichlorophenol)
Source:
Melting Point:
Colour: pale yellow
Extra Information: Light-sensitive
Experimental
R-Factor (%): 2.98
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOGLIB
Authors/Journal
Chemical
Formula: C12 H10 N2,2(C6 H3 Br3 O1)
Name: 4,4'-(ethene-1,2-diyl)dipyridine bis(2,4,6-tribromophenol)
Synonym: 1,2-bis(4-pyridyl)ethylene bis(2,4,6-tribromophenol)
Source:
Melting Point:
Colour: colorless
Extra Information: Light-sensitive
Experimental
R-Factor (%): 4.56
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOGLOH
Authors/Journal
Chemical
Formula: C12 H10 N2,2(C6 H3 I3 O1)
Name: 4,4'-(ethene-1,2-diyl)dipyridine bis(2,4,6-tris(iodo)phenol)
Synonym: 1,2-bis(4-pyridyl)ethylene bis(2,4,6-tris(iodo)phenol)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.11
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOJKEY
Authors/Journal
Authors: A.M.Atria, M.T.Garland, R.Baggio
Journal: Acta Crystallogr.,Sect.E:Struct.Rep.Online , 70, 157, 2014
Chemical
Name: 4,4'-Disulfanediyldibutanoic acid 4,4'-bipyridine
Synonym: 4,4'-Dithiodibutyric acid 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOJLIC
Authors/Journal
Authors: Z.Deutsch, J.Bernstein
Chemical
Name: Imidazolidin-2-one urea
Synonym: Imidazolidone urea
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.91
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOLHIC
Authors/Journal
Authors: Yan Zhang, Zhao Yang, Shuaihua Zhang, Xingtong Zhou
Chemical
Name: 3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-
yl}methyl)sulfanyl]-N'-sulfamoylpropanimidamide propanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOLWAI
Authors/Journal
Authors: T.Leyssens, N.Tumanova, K.Robeyns, N.Candoni, S.Veesler
Chemical
Name: bis(1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione) 2-
methylbut-2-enedioic acid
Synonym: bis(Caffeine) mesaconic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.03
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOMXOW
Authors/Journal
Authors: G.Buczak, Z.Dega-Szafran, A.Katrusiak, M.Szafran
Chemical
Formula: C7 H7 N1 O2,2(C6 H1 Cl5 O1)
Name: 1-(Carboxymethyl)pyridinium bis(pentachlorophenol)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.87
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HONFEX
Authors/Journal
Authors: Xingjun Gao, Shouwen Jin, Li Jin, XiangHang Ye, Lu Zheng,
JingWen Li, BinPeng Jin, Daqi Wang
Chemical
Name: (4-chlorophenoxy)acetic acid quinoline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HONFIB
Authors/Journal
Authors: Xingjun Gao, Shouwen Jin, Li Jin, XiangHang Ye, Lu Zheng,
JingWen Li, BinPeng Jin, Daqi Wang
Chemical
Name: 4-hydroxybenzoic acid quinoline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.44
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HONVIQ02
Authors/Journal
Authors: Lei Wang, Ruiyu Xue, Yuanxin Li, Yiran Zhao, Faqian Liu, Keke
Huang
Chemical
Formula: 3(C8 H12 N2),2(C7 H6 O3)
Name: bis(3-Hydroxybenzoic acid) tris(tetramethylpyrazine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HONXIU
Authors/Journal
Authors: M.Matsui
Chemical
Formula: C18 H25 N7 S2,C2 H2
Name: N$2'!,N$2'!-diethyl-2-(ethylimino)-5-(2-phenylhydrazinyl)-2,3-
dihydro[4,5'-bi-1,3-thiazole]-2',4'-diamine acetylene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 8.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOPJOM
Authors/Journal
Authors: K.K.Arora, M.S.Talwelkar, V.Pedireddi
Chemical
Name: 4,4'-Bipyridine-N,N'-dioxide bis(1,3,5-triazinane-2,4,6-
trione)
Synonym: 4,4'-Bipyridine-N,N'-dioxide bis(cyanuric acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.12
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOPKAZ
Authors/Journal
Authors: K.K.Arora, M.S.Talwelkar, V.Pedireddi
Chemical
Formula: 1.5(C10 H8 N2 O2),C6 H6 O3
Name: 1,3,5-Benzenetriol sesquikis(4,4'-bipyridine-N,N'-dioxide)
Synonym: sesquikis(4,4'-Bipyridine-N,N'-dioxide) phloroglucinol ;
sesquikis(4,4'-bipyridine-N,N'-dioxide) 1,3,5-trihydroxybenzene
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HORNAE
Authors/Journal
Authors: K.Shiraki, N.Takata, R.Takano, Y.Hayashi, K.Terada
Journal: Pharm. Res. , 25, 2581, 2008
Chemical
Name: Exemestane maleic acid
Synonym: 6-Methyleneandrosta-1,4-diene-3,17-dione 2-butenedioic acid
Source:
Melting Point:
Colour: colorless
Extra Information: steroid is a aromatase inhibitor decreasing contralateral new
breast cancer in postmenopausal women
Experimental
R-Factor (%): 6.17
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HORNEI
Authors/Journal
Authors: K.Shiraki, N.Takata, R.Takano, Y.Hayashi, K.Terada
Journal: Pharm. Res. , 25, 2581, 2008
Chemical
Name: Megestrol acetate saccharin
Synonym: 6-Methyl-3,20-dioxopregna-4,6-dien-17-yl acetate 1,2-
benzisothiazol-3(2H)-one 1,1-dioxide
Source:
Melting Point:
Colour: colorless
Extra Information: steroid reduces suffering caused by advanced breast and
endometria l cancers and treats loss of appetite and severe weight loss in AIDS
patients
Experimental
R-Factor (%): 3.42
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HORWIX
Authors/Journal
Authors: S.Pawledzio, D.Trzybinski, K.Wozniak
Chemical
Name: 3,5-dinitrobenzoic acid 5H-dibenzo[b,f]azepine-5-carboxamide
Synonym:
Source:
Melting Point:
Colour: yellowish colorless
Extra Information:
Experimental
R-Factor (%): 4.14
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOSFIH
Authors/Journal
Authors: Dingqiao Yang
Chemical
Formula: C17 H14 Br2 O1,C17 H14 O1
Name: 1,5-diphenylpenta-1,4-dien-3-one 6,7-dibromo-2-(4-
methylphenyl)-1,2-dihydronaphthalen-1-ol
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.15
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOSSOA
Authors/Journal
Authors: J.B.Baruah, P.Khakhlary, Munendra Pal Singh, A.Bhuyan
Chemical
Name: benzene-1,2,3-triol 1,3,5,7-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.45
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOTZEW
Authors/Journal
Authors: A.Karmaker, J.B.Baruah
Chemical
Name: N-(2-(4-Methoxyphenyl)ethyl)-2-(quinolin-8-yloxy)acetamide L-
(+)-alpha-hydroxyphenylacetic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 16.13
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOVFOP01
Authors/Journal
Chemical
Formula: C16 H14 F3 N5 O1,C7 H6 O3
(1H-1,2,4-triazol-1-yl)butan-2-ol 4-hydroxybenzoic acid
Synonym: Voriconazole 4-hydroxybenzoic acid
Source:
Colour: colorless
Experimental
R-Factor (%): 3.45
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOWXAV05
Authors/Journal
Authors: Xiaodan Ding, N.Juneja, A.W.Crawford, E.W.Reinheimer,
D.K.Unruh, K.M.Hutchins
Chemical
Name: benzene-1,4-dicarboxylic acid 4,4'-diazenediyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.45
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOWZIF05
Authors/Journal
Chemical
Name: benzene-1,4-dicarboxylic acid 4,4'-(ethane-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.1
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOXBOO05
Authors/Journal
Chemical
Name: benzene-1,4-dicarboxylic acid 4,4'-(ethene-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.69
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOXBSA
Authors/Journal
Authors: A.Knochel, J.Kopf, J.Oehler, G.Rudolph
Chemical
Formula: C12 H24 O6,2(C6 H7 N1 O2 S1)
Name: 1,4,7,10,13,16-Hexaoxacyclo-octadecane bis(benzenesulfonamide)
Synonym: 18-Crown-6 bis(benzenesulfonamide)
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: H81 has been removed because of suspected coordinate error
REFCODE: HOYZUT
Authors/Journal
Authors: T.J.Noonan, K.Chibale, P.M.Cheuka, S.A.Bourne, M.R.Caira
Chemical
Name: 6-[3-(methylsulfonyl)phenyl]-3-[4-
(methylsulfonyl)phenyl]imidazo[1,2-b]pyridazine pentanedioic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.22
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOZBOO
Authors/Journal
Authors: Kan Xu, Bing-Yu Zhang, Jing-Jing Nie, Duan-Jun Xu
Chemical
Name: bis(4-Acetylpyridine) fumaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.98
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOZPOD
Authors/Journal
Authors: C.C.P.da Silva, R.de O.Pepino, C.C.de Melo, J.C.Tenorio,
J.Ellena
Chemical
Name: 2-hydroxysuccinic acid 4-amino-5-fluoropyrimidin-2(1H)-one
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HOZPUJ
Authors/Journal
Authors: C.C.P.da Silva, R.de O.Pepino, C.C.de Melo, J.C.Tenorio,
J.Ellena
Chemical
Name: 4-amino-5-fluoropyrimidin-2(1H)-one benzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HQUCLA
Authors/Journal
Authors: C.K.Prout, A.G.Wheeler
Journal: J.Chem.Soc.A , , 469, 1967
Chemical
Formula: 2(C9 H7 N1 O1),C6 Cl4 O2
Name: 8-Hydroxyquinoline-chloranil complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.4
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes: CELL ANGLE ALPHA SHOULD BE 121.9 NOT 129.9 . THE X COORDINATE
OF O2 SHOULD BE 0.5269 NOT 0.5249
REFCODE: HQUNBZ
Authors/Journal
Authors: E.E.Castellano, C.K.Prout
Chemical
Name: 8-Hydroxyquinoline-1,3,5-trinitrobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HUFCET
Authors/Journal
Authors: C.Horhager, U.Monkowius
Chemical
Formula: 2(C18 H15 O1 P1),I2
Name: iodine bis(triphenylphosphine oxide)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 9.71
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUHDAQ
Authors/Journal
Chemical
Name: 1,3-Benzenediol bis(isonicotinaldehyde)
Synonym: 1,3-Benzenediol bis(pyridine-4-carbaldehyde)
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: No R-value or study temperature provided. No reply to our
request for data. Atoms N1 and C7 appear to have been interchanged in the deposited
data
REFCODE: HUHDEU
Authors/Journal
Chemical
Name: 3,5-Dihydroxybenzonitrile 4,4'-(1,2-ethanediyl)dipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
request for data
REFCODE: HUHDIY
Authors/Journal
Chemical
Name: Isonicotinonitrile 2,4-dihydroxybenzaldehyde
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
request for data
REFCODE: HUHDUK
Authors/Journal
Chemical
Name: 2,4-Dihydroxybenzoic acid 4,4'-(1,2-ethenediyl)dipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
Extra Information:
request for data
REFCODE: HUHDUK01
Authors/Journal
K.Wozniak
Chemical
Name: 2,4-Dihydroxybenzoic acid 4,4'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.51
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUHFAS
Authors/Journal
Chemical
Name: 2,4-Dihydroxybenzoic acid 4,4'-(1,2-ethanediyl)dipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
request for data
REFCODE: HUHFAS01
Authors/Journal
K.Wozniak
Chemical
Name: 2,4-Dihydroxybenzoic acid 4,4'-(1,2-ethanediyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.99
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUHFEW
Authors/Journal
Chemical
Name: 4-Bromo-1,3-benzenediol 4,4'-(2,6-naphthalenediyldi-2,1-
ethenediyl)dipyridine
Synonym: 4-Bromo-1,3-benzenediol 2,6-bis((E)-2-(4-
pyridyl)ethenyl)naphthalene
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
request for data
REFCODE: HUHFIA
Authors/Journal
Chemical
Name: 1-(3,5-Dihydroxyphenyl)ethanone 4,4'-(2,6-naphthalenediyldi-
2,1-ethenediyl)dipyridine
Synonym: 1-(3,5-Dihydroxyphenyl)ethanone 2,6-bis((E)-2-(4-
pyridyl)ethenyl)naphthalene
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
request for data
REFCODE: HUHGEX
Authors/Journal
Chemical
Name: 2,4-Dihydroxybenzaldehyde bis(4-methoxypyridine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: R-factor and study temperature have not been provided
REFCODE: HUHGIB
Authors/Journal
Chemical
Name: 3,5-Dihydroxybenzonitrile 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HUHQUW
Authors/Journal
Authors: H.Ishida, T.Fukunaga, S.Kashino
Chemical
Name: 4-Chloro-3-nitrobenzoic acid pyridazine
Synonym:
Source:
Melting Point:
Colour: pale brown
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUHRAD
Authors/Journal
Authors: H.Ishida, T.Fukunaga, S.Kashino
Chemical
Name: 2-Chloro-4-nitrobenzoic acid 1,2,3-benzotriazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUJNUX
Authors/Journal
Authors: S.Horiuchi, K.Kobayashi, R.Kumai, Nao Minami, F.Kagawa,
Y.Tokura
Journal: Nat.Commun. , 6, 7469, 2015
Chemical
Formula: C6 H4 S4,C6 I4 O2
Name: 2,3,5,6-tetraiodo-1,4-benzoquinone 2-(1,3-dithiol-2-ylidene)-
1,3-dithiole
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.77
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HULKOO
Authors/Journal
Authors: C.C.Mattheus, J.Baas, A.Meetsma, J.L.de Boer, C.Kloc,
T.Siegrist, T.T.M.Palstra
Chemical
Formula: C22 H16,0.5(C22 H14)
Name: bis(6,13-Dihydropentacene) pentacene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.39
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUMGEE
Authors/Journal
Authors: Chong Tian, S.D.P.Fielden, G.F.S.Whitehead, I.J.Vitorica-
Yrezabal, D.A.Leigh
Chemical
Formula: C36 H38 Cl3 N1 O1,C16 H32 O8
Name: 3,3,3-tris(4-chlorophenyl)-N-[(3,5-di-t-
butylphenyl)methyl]propanamide 1,4,7,10,13,16,19,22-octaoxacyclotetracosane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUMHOM01
Authors/Journal
Authors: Fang Guo, Wen-Sheng Guo
Chemical
Name: 1,1,6,6-Tetraphenylhexa-2,4-diyne-1,6-diol bis(4-
methoxybenzaldehyde)
Synonym: 1,1,6,6-Tetraphenylhexa-2,4-diyne-1,6-diol bis(p-Anisaldehyde)
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.02
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUNJOR
Authors/Journal
Authors: D.Stepanovs, M.Jure, L.N.Kuleshova, D.W.M.Hofmann, A.Mishnev
Chemical
Name: 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione,
Benzoic acid
Synonym: 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
benzoate; Pentoxifylline, Benzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.44
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUSVAV
Authors/Journal
Authors: O.Shemchuk, S.dAgostino, C.Fiore, V.Sambri, S.Zannoli,
F.Grepioni, D.Braga
Chemical
Formula: C17 H18 F1 N3 O3,4(C10 H14 O1)
Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-
dihydroquinoline-3-carboxylate tetrakis(5-methyl-2-(propan-2-yl)phenol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.85
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUSVEZ
Authors/Journal
Authors: O.Shemchuk, S.dAgostino, C.Fiore, V.Sambri, S.Zannoli,
F.Grepioni, D.Braga
Chemical
Formula: C17 H18 F1 N3 O3,4(C10 H14 O1)
Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-4-ium-1-yl)-1,4-
dihydroquinoline-3-carboxylate tetrakis(2-methyl-5-(propan-2-yl)phenol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUVGOW
Authors/Journal
Authors: Fanxing Meng, Yuhua Li, Xin Liu, Bao Li, Liyan Wang
Chemical
Name: biphenyl-4,4'-diol 1,1'-(1,4-phenylene)bis-1H-imidazole
Synonym: 1,4-bis(1H-imidazol-1-yl)benzene, biphenyl-4,4'-diol
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.34
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUVHAH
Authors/Journal
Authors: I.R.Pottie, K.Vaughan, M.J.Zaworotko
Chemical
Name: 1,5-bis(p-cyanophenyl)-3-(dimethylaminoethyl)pentaazadiene
1,3-bis(4-cyanophenyl)-triazapropene
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HUWHIT
Authors/Journal
Authors: M.Bakthadoss, T.T.Reddy, D.S.Sharada
Chemical
Name: ethyl 3-(4-oxo-2-phenyl-1,4-dihydroquinolin-5-yl)prop-2-enoate
ethyl 3-(4-oxo-2-phenyl-1,2,3,4-tetrahydroquinolin-5-yl)prop-2-enoate
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 8.21
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUZCUA
Authors/Journal
Authors: R.Moreno-Fuquen, M.Font i Carot, M.Garriga, F.Cano,
M.Martinez-Ripoll, J.Valderrama-Naranjo, L.M.Serratto
Chemical
Name: bis(4-Aminobenzoic acid ) 4,4'-bipyridyl N,N-dioxide
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HUZSEA
Authors/Journal
Authors: S.M.El-Medani, T.A.Youssef, R.M.Ramadan
Chemical
Name: 2-Aminobenzimidazole 1,3,5-trinitrobenzene
Synonym:
Source:
Colour: pink
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes: z(N11) should probably be 0.31595,8 (not 0.0646,7)
REFCODE: HXMIOD
Authors/Journal
Authors: H.Pritzkow
1589, 1975
Chemical
Name: Hexamethylenetetramine bis(iodine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: HXMTDI
Authors/Journal
Authors: H.Pritzkow
1589, 1975
Chemical
Name: Hexamethylenetetramine iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: IACNCA
Authors/Journal
Authors: M.Inoue, T.Sakaki, T.Fujiwara, K.Tomita
Chemical
Name: Indole-3'-acetic acid nicotinamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: IADISE
Authors/Journal
Authors: O.Holmesland, C.Romming
Chemical
Formula: C2 I2,C4 H8 Se2
Name: Di-iodoacetylene-1,4-diselenane complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.3
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes: x(C1) in Table 2 should read 0.086 rather than 0.806
REFCODE: IADITH
Authors/Journal
Authors: O.Holmesland, C.Romming
Chemical
Formula: C2 I2,C4 H8 S2
Name: Di-iodoacetylene-1,4-dithiane complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.2
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: IANNOB
Authors/Journal
Authors: H.M.Powell, G.Huse, P.W.Cooke
Chemical
Formula: C6 H6 I1 N1,C6 H3 N3 O6
Name: p-Iodoaniline-S-trinitrobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes: Coordinates of O3' are not reported and have been calculated
REFCODE: IBAKUV01
Authors/Journal
Authors: F.Borbone, S.L.Oscurato, S.Del Sorbo, Filippo Pota,
M.Salvatore, F.Reda, P.Maddalena, R.Centore, A.Ambrosio
Chemical
Name: bis((E)-4,6-dimethoxy-5-(p-tolyldiazenyl)pyrimidin-2-amine)
adipic acid
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.03
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IBIPES
Authors/Journal
Authors: A.Mandal, Youngmee Kim, Sung-Jin Kim, JaeHong Park
Chemical
Formula: C24 H12,1.5(C10 H2 N4)
Name: sesquikis(benzene-1,2,4,5-tetracarbonitrile) coronene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IBODOT
Authors/Journal
Authors: L.A.Boyd, W.Clegg, R.C.B.Copley, M.G.Davidson, M.A.Fox,
T.G.Hibbert, J.A.K.Howard, A.Mackinnon, R.J.Peace, K.Wade
Journal: Dalton Trans. , , 2786, 2004
Chemical
Formula: C8 H17 B10 N1,C6 H18 N3 O1 P1
Name: 1-Amino-2-phenyl-1,2-dicarba-closo-dodecaborane
Synonym: 1-Amino-2-phenyl-o-carborane hexamethylphosphoramide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IBOFEK
Authors/Journal
Authors: F.G.Gatti, D.A.Leigh, S.A.Nepogodiev, A.M.Z.Slawin, S.J.Teat,
J.K.Y.Wong
Chemical
Name: (2)-(2,2-diphenylethyl 3-(N-(2,2-
diphenylethyl)carbamoyl)propenoate)-(3,7,11,15-tetra-aza-1,9(1,3)-dibenzena-
5,13(1,4)-dibenzenacyclohexadecaphane-2,8,10,16-tetraone)-rotaxane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.67
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IBOFOU
Authors/Journal
Authors: F.G.Gatti, D.A.Leigh, S.A.Nepogodiev, A.M.Z.Slawin, S.J.Teat,
J.K.Y.Wong
Chemical
Name: (2)-(1,7,14,20-Tetra-aza-2,6,15,19-tetraoxo-
3,5,9,12,16,18,22,25-tetrabenzocyclohexacosane) benzyl-2-(((2-(benzyloxy)-2-
oxoethyl)((E)-5-(bis(2-(benzyloxy)-2-oxoethyl)amino))-2,5-dioxo-3-
pentenylamino)acetate) rotaxane
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IBUJAQ
Authors/Journal
Authors: M.S.Hendi, R.E.Davis, V.M.Lynch, K.A.Wheeler
Journal: Crystal Engineering , 4, 11, 2001
Chemical
Formula: C9 H8 Cl2 O3,C9 H8 Cl1 N1 O5
Name: (R)-2-(2,4-Dichlorophenoxy)propanoic acid (S)-2-(2-chloro-4-
nitrophenoxy)propanoic acid
Synonym:
Source:
Colour: colorless
Experimental
R-Factor (%): 5.34
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ICOVEF
Authors/Journal
Authors: Fucheng Leng, K.Robeyns, T.Leyssens
Journal: Pharmaceutics , 13, 671, 2021
Chemical
Name: 3-hydroxynaphthalene-2-carboxylic acid urea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ICUFOE
Authors/Journal
Authors: Lanqing Wang, Ming Guo, Shouwen Jin, LiPing Sun, Yiling Wang,
Weiqiang Xu, Daqi Wang
Chemical
Name: N-benzyl-9H-purin-6-amine citric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.85
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ICYTIN
Authors/Journal
Authors: B.D.Sharma, J.F.McConnell
Chemical
Name: Isocytosine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ICYTIN01
Authors/Journal
Authors: G.Portalone, M.Colapietro
Chemical
Name: Isocytosine
Synonym: 2-Aminopyrimidin-4(3H)-one 2-aminopyrimidin-4(1H)-one
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.36
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IDENEM
Authors/Journal
Authors: He Lin, Shun-Guan Zhu, Hong-Zhen Li, Xin-Hua Peng
Chemical
Name: 1,3-Dimethylimidazolidin-2-one 1,3,5,7-tetranitro-1,3,5,7-
tetrazocane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.98
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IDESOZ
Authors/Journal
Authors: R.Murugavel, G.Prabusankar, M.G.Walawalkar
Chemical
Formula: C30 H58 N2 O9 P2 Si4,2(C2 H7 N1)
Name: Si,Si'-bis(Trimethylsilyl(2,6-di-isopropylphenyl)amido)-
disilicodiphosphonate bis(ethylamine)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IDOHAN
Authors/Journal
Authors: C.Tantardini, S.G.Arkipov, K.A.Cherkashina, A.S.Kilmetev,
E.V.Boldyreva
Chemical
benzothiazine-3-carboxamide benzoic acid
Synonym: meloxicam benzoic acid
Source:
Colour: light white
Extra Information: Meloxicam is a nonsteroidal anti-inflammatory drug (NSAID)
Experimental
R-Factor (%): 4.24
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IDUBUF
Authors/Journal
Authors: Zi-Liang Wang, Lin-Heng Wei, Ming-Xue Li
Chemical
Name: 4,4'-Bipyridine 2,4-dihydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.55
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IDUBUF01
Authors/Journal
Chemical
Name: 2,4-Dihydroxybenzoic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: R-factor and study temperature have not been provided
REFCODE: IDUMOJ
Authors/Journal
Authors: B.M.Foxman, D.J.Guarrera, R.Pai, C.Tassa, J.C.Warner
Chemical
Name: bis(N,N-Diethyl)bicyclo[2.2.2]octane-1,4-dicarboxamide
hydroquinone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IDUMUP
Authors/Journal
Chemical
Name: bis[bis(N,N-Dimethyl)bicyclo[2.2.2]octane-1,4-dicarboxamide]
hydroquinone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.17
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IDUNAW
Authors/Journal
Chemical
Name: bis(N,N-Dimethyl)bicyclo[2.2.2]octane-1,4-dicarboxamide
bis(hydroquinone)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.76
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IDUTUX
Authors/Journal
Authors: Hai Feng, Ya-Ping Lu, Hui-Min Zhang, Bing Tu, Zhi-Min Jin
Chemical
Name: Hexamethylene triamine 2,2,3,3-
tetramethylcyclopropanecarboxylic acid
Synonym: Urotropine 2,2,3,3-tetramethylcyclopropanecarboxylic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IETPYA10
Authors/Journal
Chemical
Name: Pyrazine-tetraiodoethylene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: IFABUN
Authors/Journal
Authors: Bin Yu, Xiao-Qing Wang, Ru-Ji Wang, Guang-Qiu Shen, De-Zhong
Shen
Chemical
Name: Sebacic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IFACUO
Authors/Journal
Authors: K.Thanigaimani, P.T.Muthiah, D.E.Lynch
Chemical
Name: 2-Amino-4,6-dimethoxypyrimidine 4-aminobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IFEGAE01
Authors/Journal
Authors: Bin Chen, Wen Ye, Zhihang Li, Shouwen Jin, Jiahong Wang, Ming
Guo, Daqi Wang
Chemical
Name: 2-aminobenzoic acid 4-amino-1,5-dimethyl-2-phenyl-1,2-dihydro-
3H-pyrazol-3-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IFIHEK
Authors/Journal
Authors: R.Toplak, D.Lorcy
Chemical
Name: Ethyl 2-((5-(ethoxycarbonyl)-3,4-dimethyl-1,3-thiazol-2(3H)-
ylidene)hydrazono)-3,4-dimethyl-2,3-dihydro-1,3-thiazole-5-carboxylate 7,7,8,8-
tetracyano-p-quinodimethane
Synonym:
Source:
Melting Point:
Colour: dark purple
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IFISOH
Authors/Journal
Authors: Hu Xiong, Hao Xu, Saihu Liao, Zuowei Xie, Yong Tang
Chemical
Name: 15,15-Dimethyl 10-phenyl 13-(1,3-dimethyl-1H-indol-2-yl)-8-
methyl-8,10-diazatetracyclo[7.3.3.0$1,9!.0$2,7!]pentadeca-2,4,6-triene-10,15,15-
tricarboxylate ethyl acetate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IFODSE
Authors/Journal
Authors: T.Bjorvatten
Chemical
Formula: 2(C1 H1 I3),C4 H8 Se2
Name: Iodoform-1,4-diselenane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.2
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: IFOQUI
Authors/Journal
Authors: T.Bjorvatten, O.Hassel
Chemical
Name: tris(quinoline) iodoform
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: IFOQUI01
Authors/Journal
Authors: F.Bertolotti, G.Gervasio
Chemical
Name: Iodoform triquinoline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 1.35
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IFORAY
Authors/Journal
Authors: V.Sangeetha, N.Kanagathara, G.Chakkaravarthi, M.K.Marchewka,
G.Anbalagan
Chemical
Name: bis(3-nitrophenol) 1,3,5-triazine-2,4,6-triamine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.17
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IFOSUL
Authors/Journal
Authors: T.Bjorvatten
Chemical
Formula: C1 H1 I3,3(S8)
Name: 1,3-Iodoform-sulfur
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: IFOSUL02
Authors/Journal
Authors: Zhen-Tao Lu, Zong-Dong Sun, Yang Chi, Huai-Guo Xue, Sheng-Ping
Guo
Chemical
Formula: 3(S8),C1 H1 I3
Name: tris(octathiocane) iodoform
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 1.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IFUQAC
Authors/Journal
Authors: Ge Song, Er-Jun Hao, Wei Li
Chemical
Name: 4,4'-Bipyridine bis(cyanoacetic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IFURIK
Authors/Journal
Authors: C.Jones, P.C.Junk, T.C.Williams
Chemical
Name: tris(Dibenzoylphosphino)phosphine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IHAWOD
Authors/Journal
Authors: P.Kumaradhas, N.Kalyanam, K.A.Nirmala
Chemical
Formula: C27 H29 Cl1 N2 O3,H1 Cl1
Name: (9R)-10,11-Dihydro-6'-methoxycinchonan-9-ol 4-chlorobenzoate
hydrogen chloride
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IHEJEK
Authors/Journal
Authors: S.Chantrapromma, A.Usman, Hoong-Kun Fun
Journal: Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. , 58, m534, 2002
Chemical
Formula: C24 H56 Ba2 O16 S2,2(C7 H5 N1 O3 S1)
Name: bis((mu!2$-sulfido)-diaqua-(18-crown-6)-barium(ii))
bis(saccharin)
Synonym: bis(mu!2$-sulfido-1:2kappa$2!S)bis((diaqua-1,4,7,10,13,16-
hexaoxacyclooctadecane-6kappaO)barium(ii)) bis(saccharin)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IHISEY
Authors/Journal
Authors: F.Isaia, M.C.Aragoni, M.Arca, F.Demartin, F.A.Devillanova,
G.Ennas, A.Garau, V.Lippolis, A.Mancini, G.Verani
Journal: Eur.J.Inorg.Chem. , , 3667, 2009
Chemical
Name: Quinoxalino[2',3':5,6][1,4]dithiino[2,3-b]quinoxaline di-
iodine
Synonym:
Source:
Melting Point:
Colour: dark orange
Extra Information:
Experimental
R-Factor (%): 1.61
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes: The authors describe the structure with a polymeric chain
structure consisting of very weak nitrogen-iodine interactions
REFCODE: IHUMON
Authors/Journal
Authors: A.Crihfield, J.Hartwell, D.Phelps, R.B.Walsh, J.L.Harris,
J.F.Payne, W.T.Pennington, T.W.Hanks
Chemical
Name: 1,4-bis(3-Quinolyl)-1,3-butadiyne tetraiodoethylene
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 2.46
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IHUMUT
Authors/Journal
Chemical
Name: 1,4-bis(3-Quinolyl)-1,3-butadiyne 1,4-di-
iodotetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: light blue
Extra Information:
Experimental
R-Factor (%): 4.92
Temperature: 293
Density (CCDC): 1.9
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IHUNEE
Authors/Journal
Chemical
Name: 1,4-bis(4-Isoquinolyl)-1,3-butadiyne tetraiodoethylene
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 5.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IHUNII
Authors/Journal
Chemical
Name: 1,4-bis(4-Isoquinolyl)-1,3-butadiyne 1,4-di-
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 14.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IHUNUU
Authors/Journal
Chemical
Name: 1,4-bis(3-Pyridyl)-1,3-butadiyne bis(1,4-di-
iodotetrafluorobenzene)
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IHUWOX
Authors/Journal
Authors: Jian Liao, Xiaoxia Sun, Xin Cui, Kaibei Yu, Jin Zhu, Jingen
Deng
Chemical
Name: (R)-2,2'-Dihydroxy-1,1'-binapthyl (S)-t-butylthiosulfinate
Synonym:
Source:
Colour:
Extra Information: for stereoisomer see [IHUWIR]
Experimental
R-Factor (%): 4.09
Temperature: 289
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IJAGIJ01
Authors/Journal
Authors: M.I.Tamboli, S.Krishnaswamy, R.G.Gonnade, M.S.Shashidhar
Chemical
Name: bis(Naphthalene-2,3-diol) naphthalene-2,3-diyl bis(4-
methylbenzoate)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: Crystal heated to 136 deg.C. then cooled to 25 deg.C
Experimental
R-Factor (%): 5.19
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IJAGIJ04
Authors/Journal
Authors: M.I.Tamboli, S.Krishnaswamy, R.G.Gonnade, M.S.Shashidhar
Chemical
Name: bis(Naphthalene-2,3-diol) naphthalene-2,3-diyl bis(4-
methylbenzoate)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.39
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IJAHUX
Authors/Journal
Authors: E.V.Ganin, S.S.Basok, A.A.Yavolovskii, M.M.Botoshansky,
M.S.Fonari
Chemical
Name: 2,3,5,6,8,9,11,12-Octahydronaphtho[2,3-b]
[1,4,7,10,13]pentaoxacyclopentadecine ethanebis(thioamide)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IJAKAH
Authors/Journal
Authors: Xiangyu Liu, Zhiyong Su, Wenxin Ji, Sanping Chen, Qing Wei,
Gang Xie, Xuwu Yang, Shengli Gao
Chemical
Name: 3,5-dinitrobenzoic acid 4H-1,2,4-triazol-4-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IJECUY
Authors/Journal
Authors: Lidia Pop, I.G.Grosu, M.Micla?us, N.D.Ha?dade, A.Pop, A.Bende,
A.Terec, M.Barboiu, I.Grosu
Chemical
Name: 4,4',4'',4'''-(9,9'-spirobi[fluorene]-2,2',7,7'-
tetrayl)tetrapyridine tetrakis(1,2,3,4-tetrafluoro-5,6-di-iodobenzene)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 7.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IJETEW01
Authors/Journal
Authors: A.Salmeron-Valverde, S.Bernes, J.G.Robles-Martinez
Chemical
Name: 2,2'-bis(1,3-Dithiole) (9-dicyanomethylene-4,5,7-trinitro-
fluorene-2-carboxylic acid methyl ester)
Synonym:
Source:
Melting Point:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 6.52
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IJIJAN
Authors/Journal
Authors: Shuang Chen, H.Xi, R.F.Henry, I.Marsden, G.G.Z.Zhang
Chemical
Formula: C13 H18 O2,0.5(C10 H8 N2)
Name: 2-(4-Isobutylphenyl)propanoic acid hemikis(4,4'-bipyridine)
Synonym: ibuprofen hemikis(4,4'-bipyridine)
Source:
Melting Point:
Colour:
Extra Information: for stereoisomer see [IJIHOZ]; for racemate see [HUPPAJ]
Experimental
R-Factor (%): 13.14
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IJOBOY
Authors/Journal
Authors: W.Starosta, H.Ptasiewicz-Bak, J.Leciejewicz
Chemical
Formula: C14 H18 Ca2 N2 O14,2(C7 H5 N1 O4)
Name: bis((mu!2$-Pyridine-2,6-dicarboxylato-O,O,O')-triaqua-
calcium(ii)) bis(pyridine-2,6-dicarboxylic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.07
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IJOBOY03
Authors/Journal
Authors: Z.F.Gao, Y.Y.Di, Z.C.Tan, J.M.Dou
Chemical
Name: bis(mu!2$-Pyridine-2,6-dicarboxylato)-hexa-aqua-di-calcium
bis(pyridine-2,6-dicarboxylic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.75
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IJOFOF
Authors/Journal
Authors: D.Vargas-Oviedo, J.Portilla, M.A.Macias
Chemical
Formula: C15 H11 F1 N2 O1,C7 H5 F1 O2
Name: 4-fluorobenzoic acid 2-(1H-benzimidazol-1-yl)-1-(4-
fluorophenyl)ethan-1-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.34
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IJUFAX03
Authors/Journal
Authors: A.Navarro-Huerta, M.J.Jellen, J.Arcudia, S.J.Teat,
R.A.Toscano, G.Merino, B.Rodriguez-Molina
Chemical
Formula: 2(C24 H13 F4 N1),C6 H12 N2
Name: bis(3,6-bis(3,5-difluorophenyl)-9H-carbazole) 1,4-
diazabicyclo[2.2.2]octane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.72
Temperature: 300
Intensity Meas: 3
Disorder:
Extra Information: synchrotron; twin; 300 K
CCDC Notes:
REFCODE: IKANAK
Authors/Journal
Authors: Xiang-Yang Wu, Xiang-Jun Xu, Xiang-Cheng Wang
Chemical
Name: 1,3-Dioxo-1H,3H-benzo[de]isochromene-6,7-dicarboxylic acid
1,10-phenanthroline
Synonym: 4,5-Dicarboxynaphthalene-1,8-dicarboxylic anhydride 1,10-
phenanthroline
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IKIVUW
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 13.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IKUHUR01
Authors/Journal
Authors: A.Forni, P.Metrangolo, T.Pilati, G.Resnati
Chemical
Formula: C12 H10 N2,C6 Br2 F4
Name: (E)-1,2-bis(4-Pyridyl)ethene 1,4-dibromo-2,3,5,6-
tetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.09
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IMEZIL
Authors/Journal
Authors: R.Ezhil Vizhi, M.Vijayalakshmi
Chemical
Name: piperazine bis(succinic acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.03
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IMMXPS
Authors/Journal
Authors: M.W.Wieczorek, J.Karolak-Wojciechowska, M.Mikolajczyk,
M.Witczak, W.S.Sheldrick
3414, 1978
Chemical
Formula: C6 H13 O3 P1 S1,C3 H4 N2
Name: Imidazole 2-hydroxy-4,4,5,5-tetramethyl-1,3,2-dioxa-
phospholane-2-sulfide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: IMOQUZ
Authors/Journal
Authors: A.Dhaka, O.Jeannin, Ie-Rang Jeon, E.Aubert, E.Espinosa,
M.Fourmigue
Chemical
Formula: C12 H6 F4 Se2,C10 H8 N2
Name: 4,4'-bipyridine 1,2,4,5-tetrafluoro-3,6-
bis[(methylselanyl)ethynyl]benzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.02
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IMORAG
Authors/Journal
M.Fourmigue
Chemical
Formula: C12 H6 F4 Te2,C10 H8 N2
Name: 4,4'-bipyridine 1,2,4,5-tetrafluoro-3,6-
bis[(methyltellanyl)ethynyl]benzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.15
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IMOREK
Authors/Journal
M.Fourmigue
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-bis(iodoethynyl)benzene 4,4'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.32
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IMORIO
Authors/Journal
M.Fourmigue
Chemical
Formula: C14 H16 N4,C12 H6 F4 Se2
Name: 1,2,4,5-tetrafluoro-3,6-bis[(methylselanyl)ethynyl]benzene
1,4-bis(pyridin-4-yl)piperazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.63
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IMOROU
Authors/Journal
M.Fourmigue
Chemical
Formula: C14 H16 N4,C12 H6 F4 Te2
Name: 1,2,4,5-tetrafluoro-3,6-bis[(methyltellanyl)ethynyl]benzene
1,4-bis(pyridin-4-yl)piperazine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.22
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: INACOQ
Authors/Journal
Authors: Cheng-Peng Li, Xiao-Hu Zhao, Xu-Dong Chen, Qian Yu, Miao Du
Chemical
Name: 3,5-bis(pyrazin-2-yl)-4H-1,2,4-triazol-4-amine benzene-1,3,5-
tricarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.91
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: INAWEB
Authors/Journal
Authors: Yazhen Wang
Chemical
Name: 5-chloroquinolin-8-yl benzoate benzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.78
Temperature: 293
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: INEXIJ
Authors/Journal
Authors: S.W.Jin, D.Q.Wang, Z.J.Jin, L.Q.Wang
Journal: Pol.J.Chem. , 83, 1937, 2009
Chemical
Name: N,N'-Butylenebis(imidazole) sebacic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.96
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: INONAC
Authors/Journal
Authors: Yanjing Hu, Hanbin Hu, Yingying Li, Ruixin Chen, Yu Yang, Lei
Wang
Chemical
Name: 2,3,5,6-tetrafluoroterephthalic acid bis(pyrimidine-
2,4(1H,3H)-dione)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: INONEG
Authors/Journal
Authors: Yanjing Hu, Hanbin Hu, Yingying Li, Ruixin Chen, Yu Yang, Lei
Wang
Chemical
Name: 2,3,5,6-tetrafluoroterephthalic acid bis(6-methylpyrimidine-
2,4(1H,3H)-dione)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IPALIX
Authors/Journal
Authors: K.Iijima, Ryo Sanada, Dongho Yoo, R.Sato, T.Kawamoto, T.Mori
Journal: ACS Applied Materials and Interfaces , 10, 10262, 2018
Chemical
Name: (2,5-dimethylcyclohexa-2,5-diene-1,4-diylidene)dicyanamide
thieno[3,2-b]thieno[2',3':4,5]thieno[2,3-f][1]benzothiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 8.32
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IPAMOE
Authors/Journal
Chemical
Name: 2,2'-(2,5-difluorocyclohexa-2,5-diene-1,4-
diylidene)dipropanedinitrile thieno[3,2-b]thieno[2',3':4,5]thieno[2,3-f]
[1]benzothiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.21
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IPEPEB
Authors/Journal
Authors: Zhuoer Wang
Chemical
Formula: C18 H15 N1 O3,0.5(C10 H2 N4)
Name: methyl N-(anthracene-9-carbonyl)glycinate hemikis(benzene-
Synonym:
Source:
Melting Point:
Colour: light orange
Extra Information:
Experimental
R-Factor (%): 4.25
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IPUPEP
Authors/Journal
Authors: G.Berionni, A.-M.Goncalves, C.Mathieu, T.Devic, A.Etcheberry,
R.Goumont
Journal: Phys.Chem.Chem.Phys.(PCCP) , 13, 2857, 2011
Chemical
Name: 7-Nitro-1,3-dihydro-2,1,3-benzoxadiazole-5-carbonitrile 3-
oxide 2-(1,3-dithiol-2-ylidene)-1,3-dithiole
Synonym: 6-Cyano-4-nitrobenzofuroxane tetrathiafulvalene
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 9.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IPUPIT
Authors/Journal
Authors: G.Berionni, A.-M.Goncalves, C.Mathieu, T.Devic, A.Etcheberry,
R.Goumont
Chemical
Formula: C6 H1 N5 O2 S2,C6 H4 S4
Name: 2-(1,3-Dithiol-2-ylidene)-1,3-dithiole 4-
nitro[1,2,5]thiadiazolo[3,4-e][2,1,3]benzothiadiazole
Synonym: tetrathiafulvalene nitrobenzodithiadiazole
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IPUYEZ
Authors/Journal
Authors: R.Thipparaboina, S.Mittapalli, S.Thatikonda, Ashwini Nangia,
V.G.M.Naidu, N.R.Shastri
Chemical
Name: bis(4-Hydroxy-3,5-dimethoxybenzoic acid) pyridine-3-
carboxamide
Synonym: bis(syringic acid) nicotinamide
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.91
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IPUYID
Authors/Journal
Authors: R.Thipparaboina, S.Mittapalli, S.Thatikonda, Ashwini Nangia,
Chemical
Name: 4-hydroxy-3,5-dimethoxybenzoic acid bis(urea)
Synonym: syringic acid bis(urea)
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.13
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQIHEW
Authors/Journal
Authors: K.Pogorzelec-Glaser, A.Pietraszko, J.Baran, B.Hilczer,
J.Malecki, M.Polomska, P.Lawniczak
Chemical
Name: bis(1H-1,2,4-Triazole) succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM
Authors/Journal
Authors: E.A.Losev, B.A.Zakharov, E.V.Boldyreva
Chemical
Name: glycine DL-tartaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM01
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM10
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM11
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM12
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM13
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM14
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.53
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM15
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM16
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM17
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM18
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM19
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM20
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.62
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOMIM22
Authors/Journal
Authors: T.Mohandas, C.R.D.Inbaseelan, S.Saravanan, P.Sakthivel
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IQOZEW
Authors/Journal
Authors: Nilgun SEN
Chemical
Name: 2,4,6-trinitrophenol bis(1-(4-methoxyphenyl)-1H-tetrazole)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.85
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IRABEI
Authors/Journal
Authors: W.Nakanishi, S.Hayashi, S.Yamaguchi, K.Tamao
Chemical
Formula: C24 H16 Br6 Se4,2(C12 H8 Br2 Se2)
Name: 5:5'-Tribromo-5,10'-dibromo-5,10-bromo-bis(5,10-selenanthrene)
bis(5,5-dibromoselenanthrene)
Synonym:
Source:
Melting Point:
Colour: deep red
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 288
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IRALUK
Authors/Journal
Authors: A.Carletta, X.Buol, T.Leyssens, B.Champagne, J.Wouters
Chemical
Formula: C13 H12 N2 O2,0.5(C4 H4 O4)
Name: 2-methoxy-6-((pyridin-3-ylimino)methyl)phenol hemikis(fumaric
acid)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information: photochromic; light-sensitive
Experimental
R-Factor (%): 4.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IRALUK01
Authors/Journal
Chemical
Formula: C13 H12 N2 O2,0.5(C4 H4 O4)
Name: 2-methoxy-6-((pyridin-3-ylimino)methyl)phenol hemikis(fumaric
acid)
Synonym:
Source:
Melting Point:
Colour: yellow
Experimental
R-Factor (%): 4.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IRAMEV
Authors/Journal
Chemical
Formula: C13 H12 N2 O2,0.5(C4 H6 O4)
Name: 2-methoxy-6-((pyridin-3-ylimino)methyl)phenol hemikis(succinic
acid)
Synonym:
Source:
Melting Point:
Colour: pale yellow
Experimental
R-Factor (%): 4.11
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IRAMEV01
Authors/Journal
Chemical
Name: 2-methoxy-6-((pyridin-3-ylimino)methyl)phenol hemikis(succinic
acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: non-photochromic and non-thermochromic; light-sensitive
Experimental
R-Factor (%): 3.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IRAMEV02
Authors/Journal
Chemical
Formula: C13 H12 N2 O2,0.5(C4 H6 O4)
Name: 2-methoxy-6-(pyridin-3-ylcarbonoimidoyl)phenol
hemikis(succinic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IRAWUW
Authors/Journal
Authors: A.Dhaka, O.Jeannin, E.Aubert, E.Espinosa, M.Fourmigue
Chemical
Formula: C20 H14 Te2,2(C12 H10 N2)
Name: (mu-2-[8-(ethyn-2-id-1-yl)anthracen-1-yl]ethyn-1-ide)-
dimethyl-tellurium 4,4'-(ethene-1,2-diyl)dipyridine
Synonym: 1,8-bis[(methyltellanyl)ethynyl]anthracene 4,4'-(ethene-1,2-
diyl)dipyridine
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IREKAR
Authors/Journal
Authors: Zi-Qiang Hu, Duan-Jun Xu, Yuan-Zhi Xu, Jing-Yun Wu, M.Y.Chiang
Chemical
Name: (R)-Phenylalanine (R)-mandelic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [NAKGOY], [NONZOF], [NONZUL]
Experimental
R-Factor (%): 3.34
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IREMEA
Authors/Journal
Authors: Nathan Yee, Afshin Dadvand, E.Hamzehpoor, H.M.Titi,
D.F.Perepichka
Chemical
Name: 2,7-dinitrophenanthrene-9,10-dione 5,6-diethyl-11-phenyl-6,11-
dihydro-5H-pyrrolo[3,2-b:4,5-b']diindole
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IREMIE
Authors/Journal
Authors: Nathan Yee, Afshin Dadvand, E.Hamzehpoor, H.M.Titi,
D.F.Perepichka
Chemical
Name: 2,7-dinitrophenanthrene-9,10-dione 11-phenyl-6,11-dihydro-5H-
pyrrolo[3,2-b:4,5-b']diindole
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 8.3
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IRUGIM
Authors/Journal
Authors: T.Pilati, F.Cozzi
Chemical
Name: 1H-Pyrrole-2,5-dione pyridine-2,6-diamine
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.48
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISACOV
Authors/Journal
Authors: Yuan Chen, Chong-Bo Liu, Liu-Shui Yan, De-He Huang
Chemical
Name: (E)-2-(4-(Dimethylamino)benzylideneamino)phenol 4-
(dimethylamino)benzaldehyde
Synonym:
Source:
Colour: orange-yellow
Extra Information:
Experimental
R-Factor (%): 3.91
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISEFOB
Authors/Journal
Authors: P.A.Chaloner, C.Yenikaya, P.B.Hitchcock
Chemical
Name: 1,3-bis(diphenylphosphoryl)propane benzene-1,4-diol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISEFUH
Authors/Journal
Chemical
Name: 1,2-bis(diphenylphosphoryl)ethane naphthalene-1,5-diol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISEGUI
Authors/Journal
Chemical
Name: 1,2-bis(diphenylphosphoryl)ethane benzene-1,4-diol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.39
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISEHAP
Authors/Journal
Chemical
Formula: C26 H24 O2 P2,2(C20 H14 O2)
Name: 1,2-bis(diphenylphosphoryl)ethane bis(1,1'-binaphthyl-2,2'-
diol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISEHET
Authors/Journal
Chemical
Formula: C28 H28 O2 P2,2(C6 H6 O2)
Name: 1,4-bis(diphenylphosphoryl)butane bis(benzene-1,4-diol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISEHIX
Authors/Journal
Chemical
Name: 1,2-bis(diphenylphosphoryl)ethane 1,1'-binaphthyl-2,2'-diol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.28
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISEHOD
Authors/Journal
Chemical
Formula: C26 H24 O2 P2,2(C12 H10 O1)
Name: 1,2-bis(diphenylphosphoryl)ethane bis(1,1'-binaphthyl-2-ol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISEJIZ
Authors/Journal
Chemical
Formula: C18 H15 O1 P1,1.5(C6 H6 O2)
Name: triphenylphosphine oxide sesquikis(benzene-1,4-diol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISIJEZ01
Authors/Journal
Authors: J.-L.Syssa-Magale, K.Boubekeur, P.Palvadeau, A.Meerschaut,
B.Schollhorn
Chemical
Name: 2,2'-Bipyridine 1,4-bis(iodo)-2,3,5,6-tetrafluorobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISOJAB
Authors/Journal
Authors: T.Olszewska, M.Gdaniec, T.Polonski
Chemical
Formula: C14 H10 N2 S2,3(C6 H14 N2)
Name: (R)-(-)-Dibenzo(b,f)(1,5)diazocine-6,12(5H,11H)-dithione
tris((R,R)-1,2-diaminocyclohexane)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISOJUY
Authors/Journal
Authors: wang fei
Chemical
Name: 3-(3,4-dihydroxyphenyl)prop-2-enoic acid
bis(tetramethylpyrazine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISUMOA
Authors/Journal
Authors: F.George, B.Norberg, K.Robeyns, J.Wouters, T.Leyssens
Chemical
Name: 2-hydroxy-5-oxotetrahydrofuran-2-carboxylic acid 2-(2-
oxopyrrolidin-1-yl)butanamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [ISUMUG]
Experimental
R-Factor (%): 7.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ISUMUG
Authors/Journal
Authors: F.George, B.Norberg, K.Robeyns, J.Wouters, T.Leyssens
Chemical
Name: 2-hydroxy-5-oxotetrahydrofuran-2-carboxylic acid 2-(2-
oxopyrrolidin-1-yl)butanamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [ISUMOA]
Experimental
R-Factor (%): 6.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ITABEK
Authors/Journal
Authors: M.Sanchez, O.Sanchez, H.Hopfl, M.-E.Ochoa, D.Castillo,
N.Farfan, S.Rojas-Lima
Chemical
Formula: 2(C25 H29 B3 N2 O4),C12 H20 N2 O2
Name: bis(2-((2-((4-oxopent-2-en-2-yl)amino)ethyl)amine-N)-2,4,6-
triphenylboroxine) 1,2-bis((1-methyl-3-oxobut-1-en-1-yl)amino)ethane
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ITAQEC
Authors/Journal
Authors: Yuting Zhang, Yuqi Zhang, Wen Ye, Zhihang Li, Shouwen Jin,
Ming Guo, Liqun Bai, Daqi Wang
Chemical
Name: 3,4,5-trimethoxybenzoic acid 4-methyl-1,3-benzothiazol-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.88
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ITAQOM
Authors/Journal
Chemical
Name: phenylacetic acid 4-methyl-1,3-benzothiazol-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.52
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ITARIH
Authors/Journal
Chemical
Name: dodecanedioic acid bis(4-methyl-1,3-benzothiazol-2-amine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.71
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ITIGEY
Authors/Journal
Authors: M.Talwelkar, V.R.Pedireddi
Chemical
Name: (4-Hydroxyphenyl)boronic acid 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.25
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ITOCUS
Authors/Journal
Authors: M.A.Sinnwell, R.H.Groeneman, B.J.Ingenthron, Changan Li,
L.R.MacGillivray
Journal: Communications Chemistry , 4, 60, 2021
Chemical
Formula: C14 H4 F8,C14 H12
Name: 1,1'-(ethene-1,2-diyl)bis(2,3,5,6-tetrafluorobenzene) 1,1'-
(ethene-1,2-diyl)dibenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.22
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ITODON
Authors/Journal
L.R.MacGillivray
Chemical
Formula: C14 H4 F8,C13 H11 N1
Name: 1,1'-(ethene-1,2-diyl)bis(2,3,5,6-tetrafluorobenzene) 4-(2-
phenylethenyl)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ITOFAB
Authors/Journal
L.R.MacGillivray
Chemical
Formula: C14 H3 F9,C13 H11 N1
Name: 1,2,3,4,5-pentafluoro-6-[2-(2,3,5,6-
tetrafluorophenyl)ethenyl]benzene 4-(2-phenylethenyl)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.39
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ITUJAJ
Authors/Journal
Authors: S.Dutta, D.-K.Bucar, L.R.MacGillivray
Chemical
Name: 4'-(2-Phenylvinyl)-2,2':6',2''-terpyridine 5-iodobenzene-1,3-
diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.93
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ITUJIR
Authors/Journal
Authors: S.Dutta, D.-K.Bucar, L.R.MacGillivray
Chemical
Name: 4'-(2-Phenylvinyl)-2,2':6',2''-terpyridine 4,6-
bis(iodo)benzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.16
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ITYAEA10
Authors/Journal
Authors: V.Cody, J.Hazel, D.A.Langs, W.L.Duax
Chemical
Formula: C14 H9 I3 O4,C4 H11 N1 O2
Name: 3,3',5-Tri-iodothyroacetic acid N-diethanolamine
Synonym: PDB Chemical Component code: 4HY
Source:
Melting Point:
Colour:
Extra Information: derivative of thyroid hormone supplementing agent
Experimental
R-Factor (%): 10.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ITYRMA10
Authors/Journal
Authors: V.Cody, W.L.Duax, D.A.Norton
2244, 1972
Chemical
Formula: C15 H13 I2 N1 O4,C3 H7 N1 O1
Name: 3,5-Di-iodo-L-thyronine-N-methylacetamide
Synonym: PDB Chemical Component code: NML
Source:
Melting Point:
Colour:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes: O4' x 0.9501, not 0.3501 ; A(C1) z 0.0623, not 0.9377. H14 x
0.487, not 0.587
REFCODE: IVAMUO
Authors/Journal
Authors: S.Gadthula, R.K.Rawal, A.Sharon, Dong Wu, B.Korba, C.K.Chu
Journal: Bioorg.Med.Chem.Lett. , 21, 3982, 2011
Chemical
Formula: C13 H17 N5 O3,0.5(C4 H8 O2)
Name: Ethyl acetate 4-(6-amino-9H-purin-9-yl)-7-
(hydroxymethyl)spiro[2.4]heptane-5,6-diol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IWEQUX
Authors/Journal
Authors: N.R.Goud, N.J.Babu, A.Nangia
Chemical
Formula: C6 H6 Br1 N1 O2 S1,0.5(C10 H8 N2 O2)
Name: 2-Bromobenzenesulfonamide hemikis(4,4'-bi-1lambda$5!-pyridine-
1,1'-dioxide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.99
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IWOLIQ
Authors/Journal
Authors: T.H.Babu, J.Kamalraja, D.Muralidharan, P.T.Perumal
Chemical
Name: 2-Amino-8-methoxy-4-(2-oxo-2-phenyl-1-(4-phenyl-1H-1,2,3-
triazol-1-yl)ethyl)-4H-chromene-3-carbonitrile 2-imino-8-methoxy-2H-chromene-3-
carbonitrile
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IWOMUE
Authors/Journal
Authors: M.Zbacnik, M.Vitkovic, V.Vulic, I.Nogalo, D.Cincic
Chemical
Name: bis(1-(4-((2-hydroxy-3-
methoxybenzylidene)amino)phenyl)ethanone) 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 8.6
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IWOMUE01
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.94
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IWONAL
Authors/Journal
Chemical
Name: 4-((2-hydroxy-3-methoxybenzylidene)amino)benzonitrile 1,2,3,4-
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.37
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IWONIT
Authors/Journal
Chemical
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 2.83
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IWONOZ
Authors/Journal
Chemical
Name: bis(4-((2-hydroxy-3-methoxybenzylidene)amino)benzonitrile)
Synonym:
Source:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.68
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IWONUF
Authors/Journal
Chemical
Name: 1-(4-((2-hydroxy-3-methoxybenzylidene)amino)phenyl)ethanone
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.67
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IXAVOT
Authors/Journal
Authors: Minsoo Han, Kee Dal Nam, Dongyun Shin, Nakcheol Jeong, Hoh-Gyu
Hahn
Journal: J.Comb.Chem. , 12, 518, 2010
Chemical
Formula: C30 H33 N3 O2 S1,H1 Cl1
Name: 2-(2-(Adamantan-1-ylimino)-3-cyclopropyl-2,3-dihydro-1,3-
thiazol-4-yl)-N-(4-phenoxyphenyl)acetamide hydrochloride
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: T-type calcium channel inhibitory activity
Experimental
R-Factor (%): 16.3
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes: Cell parameters for the two structures in the paper have been
transposed in the supporting information
REFCODE: IXOVUN
Authors/Journal
Authors: P.Thorey, P.Bombicz, I.M.Szilagyi, P.Molnar, G.Bansaghi,
E.Szekely, B.Simandi, L.Parkanyi, G.Pokol, J.Madarasz
Journal: Thermochim.Acta , 497, 129, 2010
Chemical
Name: trans-(R,R)-1,2-cyclohexanediol (R,R)-tartaric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.4
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IXOXEZ
Authors/Journal
Authors: M.Dudek, J.K.Clegg, C.R.K.Glasson, N.Kelly, K.Gloe, K.Gloe,
A.Kelling, H.-J.Buschmann, K.A.Jolliffe, L.F.Lindoy, G.V.Meehan
Chemical
Name: 3-hydroxy-1-phenyl-3-(pyridin-4-yl)prop-2-en-1-one benzoic
acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IXUCEM
Authors/Journal
Authors: O.A.Fulas, A.Laferriere, G.Ayoub, D.Gandrath, C.Mottillo,
H.M.Titi, R.S.Stein, T.Friscic, T.J.Coderre
Chemical
Name: 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
3,4-dihydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.76
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IXUVUU
Authors/Journal
Chemical
Name: bis(4-iodophenol) 1,4-diazabicyclo[2.2.2]octane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IXUWAB
Authors/Journal
Chemical
Name: 4-iodophenol 4-(3-(pyridin-4-yl)propyl)pyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IXUXOQ
Authors/Journal
Chemical
Name: 4-iodophenol 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.97
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IXUXUW
Authors/Journal
Chemical
Name: 4-iodophenol 4,4'-ethane-1,2-diyldipyridine
Synonym: 4-iodophenol 1,2-bis(4-pyridyl)ethane
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.97
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IXUYAD
Authors/Journal
Chemical
Name: 4-iodophenol 4,4'-ethene-1,2-diyldipyridine
Synonym: 4-iodophenol 1,2-di(4-pyridyl)ethylene
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IXUYEH
Authors/Journal
Chemical
Name: 4-iodophenol 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IXUYIL
Authors/Journal
Chemical
Name: bis(4-iodophenol) phenazine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 6.46
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IYAZEQ
Authors/Journal
Authors: Fei Zeng, Lin-Li Tang, Juan Liao, Man-Hua Ding, Guang-Chuan Ou
Journal: CrystEngComm , , , 2021
Chemical
Name: benzene-1,3-diol 4,4'-[anthracene-1,8-diylbis(ethyne-2,1-
diyl)]dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IYAZOA
Authors/Journal
Authors: Fei Zeng, Lin-Li Tang, Juan Liao, Man-Hua Ding, Guang-Chuan Ou
Journal: CrystEngComm , , , 2021
Chemical
Name: naphthalene-1,5-diol 4,4'-[anthracene-1,8-diylbis(ethyne-2,1-
diyl)]dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IYEFUQ
Authors/Journal
Chemical
Formula: C12 H12 N2,C12 H6 F4 Se2
Name: 1,2,4,5-tetrafluoro-3,6-bis[(methylselanyl)ethynyl]benzene
4,4'-(ethane-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.53
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IYEGEB
Authors/Journal
Chemical
Formula: C18 H6 F8 Se2,C12 H12 N2
Name: 4,4'-(ethane-1,2-diyl)dipyridine 2,2',3,3',5,5',6,6'-
octafluoro-4,4'-bis[(methylselanyl)ethynyl]-1,1'-biphenyl
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.4
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IYUVAA
Authors/Journal
Authors: C.Karunatilaka, D.-K.Bucar, L.R.Ditzler, T.Friscic,
D.C.Swenson, L.R.MacGillivray, A.V.Tivanski
Chemical
Name: 3,5-Dihydroxybenzonitrile 4,4'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.11
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IZAHEZ
Authors/Journal
Authors: Y.Rossello, M.Benito, M.Barcelo-Oliver, A.Frontera, E.Molins
Chemical
Name: 2-hydroxybenzoic acid 1-ethylpyrimidine-2,4(1H,3H)-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.97
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IZAHID
Authors/Journal
Chemical
Name: 2,3-dihydroxybutanedioic acid bis(1-ethylpyrimidine-
2,4(1H,3H)-dione)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.52
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IZANOP
Authors/Journal
Chemical
Name: 1-ethyluracil urea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.61
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IZIHEE
Authors/Journal
Authors: Md.Akhtaruzzaman, M.Tomura, J.Nishida, Y.Yamashita
Chemical
Formula: 2(C16 H10 N4 S1),C3 H3 N3 O3
Name: bis(4,7-bis(4-Pyridyl)-2,1,3-benzothiadiazole) cyanuric acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.71
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: IZUZUZ02
Authors/Journal
Authors: Y.Liu, C.An, J.Luo, J.Wang
385, 2018
Chemical
(epiminomethanetriylimino)imidazo[4,5-b]pyrazine 2-methyl-1,3,5-trinitrobenzene
Synonym: 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane
2,4,6-trinitrotoluene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.72
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JABYIX01
Authors/Journal
Authors: Ning Liu, Binghui Duan, Xianming Lu, Hongchang Mo, Minghui Xu,
Qian Zhang, Bozhou Wang
Chemical
Name: bis(2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexa-
azatetracyclo[5.5.0.0$3,11!.0$5,9!]dodecane) N,N'-dimethyl-N,N'-
dinitromethanediamine
Synonym: bis(2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexa-
azaisowurtzitane) N,N'-dimethyl-N,N'-dinitromethanediamine
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.82
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAFHUT
Authors/Journal
Authors: M.T.Averbuch-Pouchot, A.Durif, J.C.Guitel
Chemical
Name: bis(DL-Alanine) phosphate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JALDEI
Authors/Journal
Authors: Arshad Khan, Mingliang Wang, R.Usman, Hao Sun, Man Du,
Chunxiang Xu
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile bis(1-(5-(9-anthryl)-3-(2-
naphthyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 7.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JALDIM
Authors/Journal
Chunxiang Xu
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 1-(5-(9-anthryl)-3-(4-
methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 8.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JALDOS
Authors/Journal
Chunxiang Xu
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 1-(5-(9-anthryl)-3-(2-
thienyl)-4,5-dihydro-1H-pyrazol-1-yl)ethanone
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 8.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAQMEU
Authors/Journal
B.Schollhorn
Chemical
Formula: 2(C10 H8 N2),C6 F4 I2
Name: bis(2,4'-Bipyridine) 1,4-bis(iodo)-2,3,5,6-tetrafluorobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAQMIY
Authors/Journal
B.Schollhorn
Chemical
Name: 1,10-Phenanthroline 1,4-bis(iodo)-2,3,5,6-tetrafluorobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JATMEW
Authors/Journal
Authors: T.Ishida, Y.In, M.Doi, M.Inoue, I.Yanagisawa
Chemical
Name: 3-(2-N',N'-(Dimethylhydrazino)-4-thiazolylmethylthio)-N''-
sulfamoylpropionamidine maleic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information: histamine hydrogen receptor antagonist activity
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: z(N15) is 0.9783 not 0.9873
REFCODE: JAVQEF
Authors/Journal
Authors: S.Kamalesu, K.Swarnalatha, S.Gomathi, P.Thomas Muthiah
Journal: Optik: international j. light and electron optics , 140, 786,
2017
Chemical
Name: (2-naphthyloxy)acetic acid 5-nitropyridin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAVXEK
Authors/Journal
Authors: Shizheng Zhu, Huiling Jiang, Jingwei Zhao, Zhanting Li
Chemical
Formula: C7 H9 F6 N1 O4 S2,C6 H18 N3 O1 P1
Name: 2-(Dimethylammoniomethyl)-1,1,3,3-tetraoxo-4,4,5,5,6,6-
hexafluoro-1,3-dithiacyclohexan-2-ide hexamethylphosphoramide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.75
Temperature: 293
Density (CCDC): 1.5
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAWVOT
Authors/Journal
Authors: B.R.Bhogala, S.Basavoju, A.Nangia
Chemical
Name: 1,3-bis(4-Pyridyl)propane isophthalic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.46
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAWWEK
Authors/Journal
Chemical
Name: cis,cis-1,3,5-Cyclohexanetricarboxylic acid
bis(isonicotinamide)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.71
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JAZBES
Authors/Journal
Chemical
Name: 1,3-bis(4-Pyridyl)propane succinic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.93
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JECZAS
Authors/Journal
Authors: T.Iwamoto, S.Kashino
Chemical
Name: Cinnamamide cinnamic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JEDLAG
Authors/Journal
Authors: L.S.Reddy, S.Basavoju, V.R.Vangala, A.Nangia
Chemical
Name: 1,3-bis(3-Pyridyl)urea succinic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.76
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEDLAG01
Authors/Journal
Authors: N.N.Adarsh, D.K.Kumar, P.Dastidar
Chemical
Name: N,N'-bis(3-pyridyl)urea butanedioic acid
Synonym: N,N'-bis(3-pyridyl)urea succinic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.82
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEFFOQ
Authors/Journal
Authors: K.Boubekeur, J.-L.Syssa-Magale, P.Palvadeau, B.Schollhorn
Chemical
Name: bis(4-Phenyl-2,2,5,5-tetramethyl-3-imidazolin-1-yloxy radical)
1,4-di-iodotetrafluorobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEFFUW
Authors/Journal
Authors: K.Boubekeur, J.-L.Syssa-Magale, P.Palvadeau, B.Schollhorn
Chemical
Name: 4-Amino-2,2,6,6-tetramethylpiperidin-1-yloxy radical 1,4-di-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.25
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEGKIS
Authors/Journal
Authors: Hao Sun, Mingliang Wang, Arshad Khan, Yaqi Shan, Man Du,
fangfang yu, kun zhao, R.Usman, Chunxiang Xu
Chemical
Name: 3-(9-anthryl)-1-phenylprop-2-en-1-one 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEGKOY
Authors/Journal
Chemical
Name: 1-(4-methoxyphenyl)-3-(pyren-1-yl)prop-2-en-1-one 1,2,4,5-
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEGKUE
Authors/Journal
Chemical
Formula: C21 H14 O1 S1,C6 F4 I2
Name: 3-(9-anthryl)-1-(2-thienyl)prop-2-en-1-one 1,2,4,5-
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEGLAL
Authors/Journal
Chemical
Name: 1-(3-phenyl-5-(pyren-1-yl)-4,5-dihydro-1H-pyrazol-1-
yl)ethanone 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEHZUU
Authors/Journal
Authors: V.Nemec, D.Cincic
Chemical
Name: 3-aminobenzonitrile 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.65
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEJBAE
Authors/Journal
Chemical
Name: pyridin-3-amine 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEJBEI
Authors/Journal
Chemical
Name: bis(1-(4-aminophenyl)ethanone) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: light brown
Extra Information:
Experimental
R-Factor (%): 1.99
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEJBIM
Authors/Journal
Chemical
Name: 4-nitroaniline 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.73
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEJBOS
Authors/Journal
Chemical
Name: 6-methoxypyridin-3-amine 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 2.86
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEJBUY
Authors/Journal
Chemical
Name: bis((4-aminophenyl)(phenyl)methanone) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.33
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEJJIS
Authors/Journal
Authors: Zhi-Cheng Ma
Chemical
Name: (R)-1,1'-Bi-2-naphthol 1,3-bis(pyrid-4-yl)propane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JELJES
Authors/Journal
Authors: S.Bordignon, P.C.Vioglio, E.Priola, D.Voinovich, R.Gobetto,
Y.Nishiyama, M.R.Chierotti
Chemical
Name: [1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-
yl]acetic acid 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Synonym: indomethacin caffeine
Source:
Melting Point:
Colour: colorless
Extra Information: These two active ingredients are frequently coadministered as
part of a therapy against strong migraines, in a commercially available fixed dose
combination formulation
Experimental
R-Factor (%): 4.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JELSEY
Authors/Journal
Authors: J.Emsley, L.Y.Y.Ma, M.B.Hursthouse, S.A.Karaulov, M.Motevalli
Chemical
Name: 2,4-Dimethylpyrimidin-2-one urea adduct
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JEMDIP
Authors/Journal
Authors: M.Amai, M.Kamijo, H.Nagase, N.Ogawa, T.Endo, H.Ueda
Chemical
Name: Palmitic acid nicotinamide
Synonym: Hexadecanoic acid nicotinamide; PDB Chemical Component code:
PLM
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.7
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEQMEA
Authors/Journal
Authors: Xiaowei Chen, Feng Yuan, Qinfen Gu, Xuebin Yu
Chemical
Formula: H14 B2 Mg1 N2,2(H6 B1 N1)
Name: diammine-bis(tetrahydridoborate)-magnesium bis(ammonioborate)
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JESMAW
Authors/Journal
Authors: R.Thomas, R.S.Gopalan, G.U.Kulkarni, C.N.R.Rao
Chemical
Name: 5-Nitrouracil hemikis(dioxane)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.88
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JESMEA
Authors/Journal
Chemical
Name: 5-Nitrouracil piperazine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.36
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JESMIE
Authors/Journal
Chemical
Name: 5-Nitrouracil hemikis(N,N'-dimethylpiperazine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 14.09
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JESMOK
Authors/Journal
Chemical
Name: 5-Nitrouracil pyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.74
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JESMUQ
Authors/Journal
Chemical
Name: 5-Nitrouracil bis(formamide)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.39
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JEWNUU
Authors/Journal
Authors: F.Garcia-Tellado, S.Goswami, Suk-Kyu Chang, S.J.Geib,
A.D.Hamilton
Chemical
Name: 1,4-bis(alpha-Picolin-6-yl)benzenediamide adipic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.53
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JEWNUU10
Authors/Journal
Authors: F.Garcia-Tellado, S.J.Geib, S.Goswami, A.D.Hamilton
Chemical
Name: 1,4-bis(((6-Methylpyrid-2-yl)amino)carbonyl)benzene adipic
acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.53
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JIBHAG
Authors/Journal
Authors: K.Lisac, V.Nemec, F.Topic, M.Arhangelskis, P.Hindle, R.Tran,
I.Huskic, A.J.Morris, T.Friscic, D.Cincic
Chemical
Name: bis(acridine) 1,1,2,2,3,3,4,4-octafluoro-1,4-di-iodobutane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.55
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JICTUK01
Authors/Journal
Authors: J.A.Zerkowski, J.C.MacDonald, C.T.Seto, D.A.Wierda,
G.M.Whitesides
Chemical
Name: N,N'-bis(4-Bromophenyl)melamine 5,5-diethylbarbituric acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.44
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JICVAS10
Authors/Journal
Authors: J.A.Zerkowski, J.C.MacDonald, C.T.Seto, D.A.Wierda,
G.M.Whitesides
Chemical
Formula: C15 H12 I2 N6,C8 H12 N2 O3
Name: N,N'-bis(4-Iodophenyl)melamine 5,5-diethylbarbituric acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JICVIA10
Authors/Journal
Authors: J.A.Zerkowski, J.P.Mathias, G.M.Whitesides
Chemical
Name: 2-Amino-4,6-bis(m-tolyl)amino-1,3,5-triazine 5,5'-
Synonym: N,N'-bis(m-Tolyl)melamine barbital
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.36
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JICVUM10
Authors/Journal
Authors: J.A.Zerkowski, G.M.Whitesides
Chemical
Name: 2-Amino-4,6-bis(t-butylamino)-1,3,5-triazine 5,5-
Synonym: N,N'-Di(t-butyl)melamine barbital
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Published dx 1.149 and fw 434.5; we calculate dx 1.12 and fw
422.54
REFCODE: JIDBIK
Authors/Journal
Authors: R.A.Wiscons, N.Rajesh Goud, J.Damron, A.J.Matzger
Chemical
Formula: C12 D10,C12 F4 N4
Name: 2,2'-(2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-
diylidene)dipropanedinitrile perdeutero-1,2-dihydroacenaphthylene
Synonym: 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane
perdeutero-1,2-dihydroacenaphthylene
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIDBIK03
Authors/Journal
Authors: R.A.Wiscons, N.Rajesh Goud, J.Damron, A.J.Matzger
Chemical
diylidene)dipropanedinitrile 1,2-dihydroacenaphthylene
Synonym: 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane 1,2-
dihydroacenaphthylene
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIFHAK
Authors/Journal
Authors: R.Khatioda, P.Bora, B.Sarma
Chemical
Name: 2,4-dihydroxybenzoic acid 2-ethoxybenzamide
Synonym: ethenzamide 2,4-dihydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information: ethenzamide is an analgesic and anti-inflammatory drug
Experimental
R-Factor (%): 5.47
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIFYAY
Authors/Journal
Authors: K.Shiomi, H.Iinuma, H.Naganawa, M.Hamada, S.Hattori,
H.Nakamura, T.Takeuchi, Y.Iitaka
Journal: J.Antibiot. , 43, 1000, 1990
Chemical
Name: Deoxydynemicin A dimethylformamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JIFYAY01
Authors/Journal
Authors: R.E.Marsh
Chemical
Name: Deoxydynemicin A dimethylformamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JIGKES
Authors/Journal
Authors: P.Gupta, D.P.Karothu, E.Ahmed, P.Naumov, N.K.Nath
Chemical
Name: 4-(dipropylsulfamoyl)benzoic acid hemikis(4,4'-(diazene-1,2-
diyl)dipyridine)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 6.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIGKES01
Authors/Journal
Chemical
diyl)dipyridine)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIGKES02
Authors/Journal
Chemical
diyl)dipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.89
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIGKES03
Authors/Journal
Chemical
diyl)dipyridine)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.38
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIHQUP
Authors/Journal
Authors: M.Tamil Elakkiya, S.PremKumar, M.Sathiyendran, P.Suresh,
V.Shanmugaiah, K.Anitha
Chemical
Name: benzene-1,2-dicarboxylic acid pyrazin-2-amine
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 5.69
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JILSAB
Authors/Journal
Authors: U.B.Rao Khandavilli, E.Skorepova, A.S.Sinha, B.R.Bhogala,
N.M.Maguire, A.R.Maguire, S.E.Lawrence
Chemical
Name: 5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-
4-one 2-aminobenzamide
Synonym: naringenin anthranilamide
Source:
Melting Point:
Colour: colorless
Extra Information: naringenin has anti-inflammatory, antioxidant, anti-potent,
antiallergenic, phytoestrogenic, anti-atherogenic and anti-ulcer activity
Experimental
R-Factor (%): 4.63
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JILSEF
Authors/Journal
Chemical
4-one 4,4'-bipyridine
Synonym: naringenin 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.04
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JILSIJ
Authors/Journal
Chemical
4-one 2-phenyl-4H-1-benzopyran-4-one
Synonym: naringenin flavone
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.55
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JILYIP
Authors/Journal
Authors: M.G.Smith, A.Lemmerer
Chemical
Name: N'-[(4-methylphenyl)(phenyl)methylidene]pyridine-4-
carbohydrazide bis(4-hydroxybenzoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.98
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIMDOY
Authors/Journal
Authors: K.Nakasuji, K.Sugiura, T.Kitagawa, J.Toyoda, H.Okamoto,
K.Okaniwa, T.Mitani, H.Yamamoto, I.Murata, A.Kawamoto, J.Tanaka
Chemical
Formula: C10 H4 Br2 O2,C10 H6 Br2 O2
Name: 1,5-Dibromo-2,6-naphthoquinone 1,5-dibromo-2,6-
dihydroxynaphthalene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JIMDUE
Authors/Journal
Authors: K.Nakasuji, K.Sugiura, T.Kitagawa, J.Toyoda, H.Okamoto,
K.Okaniwa, T.Mitani, H.Yamamoto, I.Murata, A.Kawamoto, J.Tanaka
Chemical
Formula: C10 H4 Cl2 O2,C10 H6 Cl2 O2
Name: 1,5-Dichloro-2,6-naphthoquinone 1,5-dichloro-2,6-
dihydroxynaphthalene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JIQCAN
Authors/Journal
Authors: D.E.Lynch, T.Latif, G.Smith, K.A.Byriel, C.H.L.Kennard,
S.Parsons
Chemical
Name: 2-Aminopyrimidine indole-3-acetic acid
Synonym:
Source:
Colour: light brown
Extra Information:
Experimental
R-Factor (%): 7.37
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JIQCAN01
Authors/Journal
Authors: S.S.A.Abidi, Y.Azim, A.K.Gupta, C.P.Pradeep
Chemical
Name: (1H-indol-3-yl)acetic acid pyrimidin-2-amine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIQCIV
Authors/Journal
Authors: D.E.Lynch, T.Latif, G.Smith, K.A.Byriel, C.H.L.Kennard,
S.Parsons
Chemical
Formula: C4 H5 N3,C5 H4 O2 S1
Name: 2-Aminopyrimidine thiophen-2-carboxylic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JIQGAU
Authors/Journal
Authors: S.K.Nechipadappu, I.R.Reddy, K.Tarafder, D.R.Trivedi
Chemical
Name: 4-(azaniumylmethyl)cyclohexane-1-carboxylate 3,4,5-
trihydroxybenzoic acid
Synonym: Tranexamic acid gallic acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIQHAV
Authors/Journal
Authors: S.K.Nechipadappu, I.R.Reddy, K.Tarafder, D.R.Trivedi
Chemical
Name: 4-(azaniumylmethyl)cyclohexane-1-carboxylate but-2-enoic acid
Synonym: Tranexamic acid crotonic acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIQKUS
Authors/Journal
M.Pastore
Chemical
Name: 5H-dibenzo[b,f]azepine-5-carboxamide 4-nitro-1-oxo-1-pyridine
Synonym: carbamazepine 4-nitropyridine N-oxide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.38
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JIQLAZ
Authors/Journal
M.Pastore
Chemical
Name: 5H-dibenzo[b,f]azepine-5-carboxamide pyrimidin-2-amine
Synonym: carbamazepine 2-aminopyrimidine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.49
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JITNUY
Authors/Journal
Authors: Zhanfeng Li, Guoyue Gan, Zhitian Ling, Kunping Guo, Changfeng
Si, Xiang Lv, Hua Wang, Bin Wei, Yuying Hao
Journal: Organic Electronics , 66, 24, 2018
Chemical
Formula: C30 H22,C30 H22
Name: 2,3'-dimethyl-9,9'-bianthracene 3,3'-dimethyl-9,9'-
bianthracene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 12.98
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JITXAL
Authors/Journal
Authors: V.Bertolasi, P.Gilli, V.Ferretti, G.Gilli
Chemical
Name: bis(1-p-Methoxyphenyl-3-m-nitrophenyl-1,3-propanedione enol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JIYRER
Authors/Journal
Authors: V.A.Ivolgina, M.S.Chernov'yants, L.D.Popov, V.V.Suslonov,
G.S.Borodkin, N.V.Luanguzov, N.A.Avtushenko
Chemical
Formula: 2(C13 H13 N1 O4 S2),I2
Name: bis(2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-
1,3-thiazolidin-4-one) iodine
Synonym:
Source:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 5.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOBROK
Authors/Journal
Authors: A.Carletta, C.Smulders, B.Norberg, J.Wouters
Chemical
Formula: 2(C13 H12 N2 O2),C12 H10 O2
Name: bis(2-methoxy-6-{[(pyridin-3-yl)imino]methyl}phenol) [1,1'-
biphenyl]-4,4'-diol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.42
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOCMOD
Authors/Journal
Authors: K.A.Byriel, D.E.Lynch, G.Smith, C.H.L.Kennard
Chemical
Name: 2-Carboxyphenoxyacetic acid 4-aminobenzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JOCRIC01
Authors/Journal
Authors: U.H.F.Bunz, V.Enkelmann
Chemical
Name: 1,2:7,8-Dibenzocyclododeca-1,7-diene-3,5,9,11-tetrayne
hexafluorobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JOCVEC
Authors/Journal
Chemical
7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: blue green
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information: second refinement
CCDC Notes:
REFCODE: JOCVEC01
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: blue green
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information: first refinement
CCDC Notes:
REFCODE: JOFGOD
Authors/Journal
Authors: Yu Song, Ling-Yang Wang, Fang Liu, Yan-Tuan Li, Zhi-Yong Wu,
Cui-Wei Yan
Chemical
Name: pyrrolidin-1-ium-2-carboxylate N-(5-sulfamoyl-1,3,4-
thiadiazol-2-yl)acetamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.05
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOFJEW
Authors/Journal
Authors: E.Bosch, S.J.Kruse, H.R.Krueger, R.H.Groeneman
Chemical
Formula: C12 H8 N2,C6 Cl4 I2
Name: 4,4'-(ethyne-1,2-diyl)dipyridine 1,2,4,5-tetrachloro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 1.55
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOHFOD
Authors/Journal
Authors: M.Baldrighi, D.Bartesaghi, G.Cavallo, M.R.Chierotti,
R.Gobetto, Pierangelo Metrangolo, T.Pilati, G.Resnati, G.Terraneo
Chemical
Formula: C10 H8 N2,2(C9 H4 Cl3 I1 O1)
Name: 1,2,4-trichloro-5-((3-iodoprop-2-yn-1-yl)oxy)benzene 4,4'-
bipyridine
Synonym: Haloprogin 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.03
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOHPOL
Authors/Journal
Chemical
Name: 4,4'-bis(((6-Methylpyrid-2-yl)amino)carbonyl)biphenyl 1,12-
dodecanedicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.45
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JOHPUR
Authors/Journal
Chemical
Name: 2,6-bis(((6-Methylpyrid-2-yl)amino)carbonyl)naphthalene 1,12-
dodecanedicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.16
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JOHRAZ
Authors/Journal
Chemical
octanedicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.67
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JOHRAZ01
Authors/Journal
Authors: R.E.Marsh
Chemical
octanedicarboxylic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes: Coordinates are included for five additional atoms per unit
cell, forming a severely distorted five-membered ring which lies near a center of
inversion in P-1. No solvent molecule of crystallization is mentioned in the
original paper; solvents involved in the crystallization procedures include
tetrahydrofuran and ''hexanes''. These five atoms have been deleted
REFCODE: JOJXAK
Authors/Journal
Authors: yaan Zhang
Chemical
Formula: 2(C7 H4 Cl2 O3),C6 H8 N2
Name: bis(3,5-dichloro-2-hydroxybenzoic acid) 2,3-dimethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.39
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOJXEO
Authors/Journal
Authors: yaan Zhang
Chemical
Name: bis(3,5-dichloro-2-hydroxybenzoic acid) 2,5-dimethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOJXIS
Authors/Journal
Authors: yaan Zhang
Chemical
Name: 3,5-dichloro-2-hydroxybenzoic acid 2,3,5-trimethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.74
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOKLEC
Authors/Journal
Authors: A.Bedekar, G.Muller, S.S.Mothuku, H.Talele, H.Mande, R.Tovar
Chemical
Name: pyrrolidinium-2-carboxylate 1,1'-binaphthalene-2,2',7,7'-
tetrol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOKYOA
Authors/Journal
Authors: S.SeethaLekshmi, S.Amrutha, M.S.R.N.Kiran, S.Varughese
Chemical
Formula: C10 H9 Cl1 N4 O2 S1,C11 H9 N1
Name: 4-amino-N-(6-chloropyridazin-3-yl)benzene-1-sulfonamide 4-
phenylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.32
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOLSAE
Authors/Journal
Authors: N.M.Stainton, K.D.M.Harris, R.Alan Howie
Chemical
Formula: 4(C3 H3 N3 O3),4(C2 H5 N3 O2)
Name: tetrakis(Cyanuric acid) tetrabiuret
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.59
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JOMHIF
Authors/Journal
Authors: S.M.Oburn, Jay Quentin, L.R.MacGillivray
Chemical
Name: but-2-yne-1,4-diol 3,3'-(ethene-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: Deliquescent,Photo-sensitive
Experimental
R-Factor (%): 3.56
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOMHOL
Authors/Journal
Authors: S.M.Oburn, Jay Quentin, L.R.MacGillivray
Chemical
Name: but-2-yne-1,4-diol 4,4'-(ethene-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: Photo-sensitive
Experimental
R-Factor (%): 3.61
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JOPPAF
Authors/Journal
Authors: M.Yamagishi, Y.Yamada, K.Ozaki, T.Da-te, K.Okamura, M.Suzuki,
K.Matsumoto
Chemical
Name: Brucine (+)-3'-methylspiro(imidazolidine-4,4'(1'H)-
quinazoline)-2,2',5-(3'H)-trione
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JORYUK
Authors/Journal
Authors: V.Manriquez, C.Diaz, S.Copaja, G.Gonzalez, K.Peters
Chemical
Name: Thiobis(phthalimide) diphenylamine
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JOZZED
Authors/Journal
Authors: M.A.Serra, B.K.Dorner, M.E.Silver
Chemical
Formula: C5 H5 N5,H2 O2
Name: Adenine hydrogen peroxide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.71
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JUBNAV
Authors/Journal
Authors: R.L.Beddoes, J.R.Russell, C.D.Garner, J.A.Joule
Chemical
Formula: 0.83(C19 H16 N2 O2 S3),0.17(C19 H15 Br1 N2 O2 S3)
Name: 4-(4-Benzyloxycarbonyl-1,2,3,4-tetrahydroquinoxalin-2-yl)-1,3-
dithiole-2-thione 4-(4-benzyloxycarbonyl-7-bromo-1,2,3,4-tetrahydroquinoxalin-2-
yl)-1,3-dithiole-2-thione
Synonym:
Source:
Melting Point:
Colour: Yellow
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Fw 400.53 (major component)
REFCODE: JUBRAZ
Authors/Journal
Authors: Liu Haixin, Wang Xin, Zhang Xinmin
Chemical
Name: 6,6'-Diquinolyl ether 5,5-diethylbarbituric acid
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information: biomedical activity
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JUDNAX
Authors/Journal
Authors: R.Moreno Fuquen, R.H.de Almeida Santos, J.R.Lechat
Chemical
Name: 4-Nitropyridine N-oxide 4-nitrophenol
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JUDVIN
Authors/Journal
Authors: B.M.Foxman, D.J.Guarrera, L.D.Taylor, D.VanEngen, J.C.Warner
Chemical
Name: Hydroquinone bis(N,N-diethyl)terephthalamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.94
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JUDWOU
Authors/Journal
Authors: B.M.Foxman, D.J.Guarrera, L.D.Taylor, D.VanEngen, J.C.Warner
Chemical
Name: Hydroquinone bis(N,N-dimethyl)terephthalamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.27
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JUKTOY
Authors/Journal
Chemical
Formula: C18 H15 O1 P1,C8 H3 Cl5 O3
Name: Triphenylphosphine oxide pentachlorophenoxyacetic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: JULJEH
Authors/Journal
Authors: C.Neurohr, M.Marchivie, S.Lecomte, Y.Cartigny, N.Couvrat,
M.Sanselme, P.Subra-Paternault
Chemical
Name: (R)-2-(6-Methoxy-2-naphthyl)propanoic acid (+)-(S)-2-(6-
methoxy-2-naphthyl)propanoic acid nicotinamide
Synonym: (R)-Naproxen (S)-naproxen nicotinamide
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [HEGGAD]; Naproxen has anti-inflammatory,
analgesic and antipyretic properties
Experimental
R-Factor (%): 8.42
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JUVFOY
Authors/Journal
Authors: J.Wojnarska, M.Gryl, T.Seidler, K.M.Stadnicka
Chemical
Name: 4-amino-N-(1,3-thiazol-2(3H)-ylidene)benzene-1-sulfonamide
pyridin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.81
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JUVFUE
Authors/Journal
Chemical
Name: 4-amino-N-(1,3-thiazol-2(3H)-ylidene)benzene-1-sulfonamide 5-
methylpyridin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.68
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JUVGAL
Authors/Journal
Chemical
Formula: C9 H9 N3 O2 S2,C5 H5 Cl1 N2
chloropyridin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.67
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JUVGEP
Authors/Journal
Chemical
Formula: C9 H9 N3 O2 S2,C5 H5 Br1 N2
bromopyridin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.43
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JUWHIU
Authors/Journal
Authors: A.Tarai, J.B.Baruah
Chemical
Formula: C10 H8 N2 O1,0.5(C6 H10 O4)
Name: 4-((Hydroxyimino)methyl)quinoline hemikis(hexanedioic acid)
Synonym: Quinoline-4-carbaldoxime hemikis(adipic acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JUWHOA
Authors/Journal
Chemical
Name: 4-((Hydroxyimino)methyl)quinoline hemikis(butanedioic acid)
Synonym: Quinoline-4-carbaldoxime hemikis(succinic acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.36
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JUWHUG
Authors/Journal
Chemical
Name: 4-((Hydroxyimino)methyl)quinoline hemikis(but-2-enedioic acid)
Synonym: Quinoline-4-carbaldoxime hemikis(fumaric acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JUYSED
Authors/Journal
Authors: B.Ivanova, M.Spiteller
Journal: J.Environ. Chem. Eng. , 4, 498, 2016
Chemical
Name: 1H-Pyrazole 3,4-dihydroxycyclobut-3-ene-1,2-dione
Synonym: Pyrazole squaric acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.11
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KABCAV
Authors/Journal
Authors: D.N.Evtushenko, S.G.Arkhipov, A.V.Fateev, T.I.Izaak,
L.A.Egorova, N.A.Skorik, O.V.Vodyankina, E.V.Boldyreva
967, 2020
Chemical
Name: pyridin-1-ium-2-carboxylate 5-(1,2-dihydroxyethyl)-3,4-
dihydroxyfuran-2(5H)-one
Synonym: L-ascorbic acid picolinic acid
Source:
Extra Information:
Experimental
R-Factor (%): 3.24
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KADHIK
Authors/Journal
Authors: Soumen Singha, S.Goswami, S.K.Dey, R.Jana, P.Ray, I.Saha,
C.Rizzoli, P.Bag, S.Kumar, R.Saha
Chemical
Formula: C8 H2 Br4 O4,C5 H4 Br1 N1
Name: 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid 3-
bromopyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.07
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAHRIX
Authors/Journal
Authors: J.B.Nanubolu, K.Ravikumar
Chemical
Name: 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-3,4-
dihydroquinolin-2(1H)-one benzene-1,4-diol
Synonym: Aripiprazole hydroquinone
Source:
Melting Point:
Colour:
Extra Information: aripiprazole is an antipsychotic drug
Experimental
R-Factor (%): 4.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAHTOC
Authors/Journal
Authors: H.J.Keller, R.Niebl, G.Renner, D.von der Ruhr, A.K.Kilic,
D.Schweitzer
Chemical
Formula: 2(C12 H21 N3),C12 N6
Name: bis(1,3,5-tris(Dimethylamino)benzene) 1,2,3,4,5,6-
hexacyanobenzene
Synonym:
Source:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KAJFEJ
Authors/Journal
Authors: J.B.Nanubolu, K.Ravikumar
Chemical
Name: 7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)-3,4-
dihydroquinolin-2(1H)-one benzene-1,3-diol
Synonym: aripiprazole resorcinol
Source:
Melting Point:
Colour:
Extra Information: Aripiprazole is an antipsychotic drug
Experimental
R-Factor (%): 3.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAJSIB
Authors/Journal
Authors: X.Buol, C.C.Garrido, K.Robeyns, N.Tumanov, L.Collard,
J.Wouters, T.Leyssens
Chemical
Name: N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (2R)-
2-hydroxy-2-phenylacetic acid
Synonym: nefiracetam (R)-mandelic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 3.03
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAJSIB01
Authors/Journal
Authors: X.Buol, C.C.Garrido, K.Robeyns, N.Tumanov, L.Collard,
Chemical
Name: N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (R)-
2-hydroxy-2-phenylacetic acid
Synonym: nefiracetam (R)-mandelic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 3.75
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KANBOT
Authors/Journal
Authors: U.B.Rao Khandavilli, B.R.Bhogala, A.R.Maguire, S.E.Lawrence
Chemical
Name: 4-(dipropylsulfamoyl)benzoic acid acridine
Synonym:
Source:
Melting Point:
Colour: fluorescent yellow
Extra Information:
Experimental
R-Factor (%): 4.19
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAPHUF
Authors/Journal
Authors: A.S.Cannon, B.M.Foxman, D.J.Guarrera, J.C.Warner
Chemical
Formula: 3(C6 H6 O2),2(C21 H33 N3 O3)
Name: tris(Hydroquinone) bis(N,N,N',N',N'',N''-hexaethylbenzene-
1,3,5-tricarboxamide)
Synonym: tris(Hydroquinone) bis(tris(N,N-diethyl)trimesamide)
Source:
Melting Point:
Colour: gold
Extra Information:
Experimental
R-Factor (%): 6.18
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAPJAN
Authors/Journal
Authors: A.S.Cannon, B.M.Foxman, D.J.Guarrera, J.C.Warner
Chemical
Name: bis(Hydroquinone) N,N,N',N',N'',N''-hexamethylbenzene-1,3,5-
tricarboxamide
Synonym: bis(Hydroquinone) tris(N,N-dimethyl)trimesamide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAPKEU
Authors/Journal
Authors: J.R.A.Diaz, G.E.Cami, M.Liu-Gonzalez, D.R.Vega, D.Vullo,
A.Juarez, J.C.Pedregosa, C.T.Supuran
Journal: J.Enzyme Inhib.Med.Chem. , 31, 1102, 2016
Chemical
Formula: C7 H8 O3 S1,C2 H4 N4 O2 S2
Name: 4-methylbenzene-1-sulfonic acid 5-amino-1,3,4-thiadiazole-2-
sulfonamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: Diuretic, anticonvulsant and carbonic anhydrase inhibitory
activity
Experimental
R-Factor (%): 7.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KARGIW
Authors/Journal
Authors: R.Lee, D.S.Yufit, M.R.Probert, J.W.Steed
Chemical
Name: formic acid 2,6-dimethylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KARHAM
Authors/Journal
Authors: J.Lefebvre, A.Miniewicz, R.Kowal
Chemical
Name: 1,2,4,5-Benzenetetracarbonitrile 1,2,4,5-tetramethylbenzene
Synonym: 1,2,4,5-Tetracyanobenzene durene
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: y(C10) is 0.2280 not 0.0280; x(H5) appears to be 0.1471, not
0.0471
REFCODE: KARHOA
Authors/Journal
Authors: M.Soriano-Garcia, R.A.Toscano, J.G.Robles Martinez, A.Salmeron
U., R.Lezama
Chemical
Name: 2,2'-bis-1,3-Dithiole 2,7-dinitrofluorenone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KARKAS
Authors/Journal
Authors: Mao Mao, Ling Zhang, Yao-Zhong Chen, Jie Zhu, Lei Wu
Journal: ACS Catalysis , 7, 181, 2017
Chemical
Formula: C37 H30 Cl1 O1 P1,0.5(C4 H10)
Name: (4-(4-chlorophenyl)-3-(diphenylmethylene)hexa-1,4-dien-2-yl)
(diphenyl)phosphine oxide butane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.67
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KASYEJ
Authors/Journal
Authors: Miao Du, Zhi-Hui Zhang, Yan-Ping You
Chemical
Name: Benzene-1,2,3-tricarboxylic acid 4,4'-bipyridine
Synonym: Hemimellitic acid 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KASYEJ01
Authors/Journal
Authors: Yan-Zhen Zheng, Yue-Biao Zhang, Ming-Liang Tong, Wei Xue,
Xiao-Ming Chen
Chemical
Name: 1,2,3-Benzenetricarboxylic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: Hydrogen atoms H1 and H3 lie on special positions resulting in
a hydrogen bonded polymeric structure
REFCODE: KATBAJ
Authors/Journal
Authors: Yu-Mei Dai, Hui-Ying Shen, Jin-Feng Huang
Chemical
Name: Terephthalic acid 1,3-bis(4-pyridyl)propane
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KATBAJ01
Authors/Journal
Authors: Peng Wang, Chong-chen Wang
Journal: Huaxue Yanjiu(Chin.)(Chem.Res.) , 18, 5-4, 2007
Chemical
Name: Terephthalic acid 1,3-bis(4-pyridyl)propane
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAXRAE
Authors/Journal
Chemical
Name: 2,2'-Sulfanediyldiacetic acid 4,4'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: reddish
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAXREI
Authors/Journal
Chemical
Formula: C12 H10 N2,C4 H6 O4 Se1
Name: 2,2'-Selanyldiacetic acid 4,4'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.62
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAXRIM
Authors/Journal
Chemical
Name: Pent-2-enedioic acid 4,4'-ethene-1,2-diyldipyridine
Synonym: Glutaconic acid 4,4'-ethene-1,2-diyldipyridine; PDB Chemical
Component code: G9A
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 5.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAXROS
Authors/Journal
Chemical
Name: Hexa-2,4-dienedioic acid 4,4'-ethene-1,2-diyldipyridine
Synonym: trans,trans-Muconic acid 4,4'-ethene-1,2-diyldipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAXRUY
Authors/Journal
Chemical
Name: 3,3'-(1,4-Phenylene)bisacrylic acid 4,4'-ethene-1,2-
diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAXSIN
Authors/Journal
Authors: Yan Yan, Jia-Mei Chen, Na Geng, Tong-Bu Lu
Chemical
Name: Hydroxyacetic acid N-(2-(7-methoxy-1-naphthyl)ethyl)acetamide
Synonym: Agomelatine hydroxyacetic acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAXSOT
Authors/Journal
Chemical
Name: N-(2-(7-Methoxy-1-naphthyl)ethyl)acetamide isonicotinamide
Synonym: Agomelatine isonicotinamide
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAXSUZ
Authors/Journal
Chemical
Name: Methyl 4-hydroxybenzoate N-(2-(7-methoxy-1-
naphthyl)ethyl)acetamide
Synonym: Agomelatine methyl 4-hydroxybenzoate
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAXWAJ01
Authors/Journal
Authors: Y.Zhang, G.Wu, B.R.Wenner, F.V.Bright, P.Coppens
Chemical
Name: bis(4-hydroxyphenyl)methanone 1,4,10,13-tetraoxa-7,16-
diazacyclooctadecane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.44
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: synchrotron; at 293 K
CCDC Notes:
REFCODE: KAYFUN
Authors/Journal
Authors: C.B.Aakeroy, S.V.Panikkattu, B.DeHaven, J.Desper
Chemical
Name: Pimelic acid N-(pyridin-2-yl)isonicotinamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAYGEY
Authors/Journal
Chemical
Name: Adipic acid N-(pyridin-2-yl)isonicotinamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.11
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAYGIC
Authors/Journal
Chemical
Name: Suberic acid N-(pyridin-2-yl)isonicotinamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.88
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAYNED
Authors/Journal
Authors: J.Trikha, H.C.Patel, T.P.Singh
Chemical
Name: N-Butoxycarbonyl-L-prolyl-L-valine methyl ester N-
butoxycarbonyl-L-prolyl-C$beta!-methyl-L-valine methyl ester
Synonym: PEPSEQ A=2 PRO*-VAL* A=2 PRO*-VAL*
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KEBHUW
Authors/Journal
Authors: B.R.Jali, J.B.Baruah
Chemical
Formula: C18 H12 O4 S1,0.5(C10 H8 N2)
Name: 2-((3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-
yl)sulfanyl)benzoic acid hemikis(2,2'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.92
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEBJIM
Authors/Journal
Authors: Qian Tao, Jia-Mei Chen, Lei Ma, Tong-Bu Lu
Chemical
Name: 3-(phenyldiazenyl)pyridine-2,6-diamine 1H-isoindole-1,3(2H)-
dione
Synonym: Phenazopyridine phthalimide
Source:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEBLIO
Authors/Journal
Authors: D.Singh, J.B.Baruah
Chemical
Name: 4-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-3-
hydroxybenzoic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.35
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KECYUN
Authors/Journal
Authors: M.Salas, B.Gordillo, F.J.Gonzalez
Journal: ARKIVOC , 2003, 72-11, 2003
Chemical
Name: 5-Methyl-1-octyl-1H-pyrimidine-2,4-dione 9-octyl-9H-purin-6-
ylamine
Synonym: 1-Octylthymine 9-octyladenine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.41
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEFWAW
Authors/Journal
Authors: D.Ludeker, G.Brunklaus
Journal: Solid State Nucl.Magn.Reson. , 65, 29, 2015
Chemical
Name: pyrrolidin-1-ium-2-carboxylate 1-(4-fluorophenyl)-3-[3-(4-
fluorophenyl)-3-hydroxypropyl]-4-(4-hydroxyphenyl)azetidin-2-one
Synonym: ezetimibe L-proline
Source:
Melting Point:
Colour:
Extra Information: Ezetimibe is a drug for the treatment of primary
hypercholesterolemia
Experimental
R-Factor (%): 4.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEFWEA
Authors/Journal
Authors: D.Ludeker, G.Brunklaus
Journal: Solid State Nucl.Magn.Reson. , 65, 29, 2015
Chemical
Name: 1-(4-fluorophenyl)-3-[3-(4-fluorophenyl)-3-hydroxypropyl]-4-
(4-hydroxyphenyl)azetidin-2-one 1H-imidazole
Synonym: ezetimibe 1H-imidazole
Source:
Melting Point:
Colour:
Extra Information: for stereoisomer see [QOQBIJ]; Ezetimibe is a drug for the
treatment of primary hypercholesterolemia
Experimental
R-Factor (%): 6.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEGCIJ
Authors/Journal
Authors: Zhi-Cheng Ma, Ai-Qing Ma, Guo-Ping Wang
Chemical
Name: 4-((E)-2-(pyridin-4-yl)vinyl)pyridine 4,4'-oxydibenzoic acid
Synonym: (E)-4,4'-Diazastilbene 4,4'-oxydibenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.24
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEGXOJ
Authors/Journal
Authors: J.L.Atwood, S.G.Bott, C.M.Means, A.W.Coleman, Hongming Zhang,
M.T.May
Chemical
Formula: C12 H24 Cl2 Mg1 O6,2(H1 Cl1)
Name: (18-Crown-6-dichloro-magnesium) hydrogen chloride
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KEKGAJ
Authors/Journal
Authors: N.Barooah, R.J.Sarma, A.S.Batsanov, J.B.Baruah
Chemical
Name: N-Phthaloylglycine 2-aminopyrimidine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEKHIS
Authors/Journal
Authors: Miao Du, Zhi-Hui Zhang, Xiu-Guang Wang, Cheng-Peng Li
Chemical
Name: cisoid-2,5-bis(3-Pyridyl)-1,3,4-oxadiazole 3-hydroxybenzoic
acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEPDIV01
Authors/Journal
Chemical
thieno[3,2-b]thieno[2',3':4,5]thieno[2,3-f][1]benzothiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEPDOB01
Authors/Journal
Chemical
Formula: C14 H6 S4,C12 F4 N4
diylidene)dipropanedinitrile thieno[3,2-b]thieno[2',3':4,5]thieno[2,3-f]
[1]benzothiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.59
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KERSAB
Authors/Journal
Authors: K.Fukawa, S.Harada, N.Kasai, M.Toda, K.Mori, F.Toda
Chemical
Name: 1-Methyl-2-(3-pyridyl)pyrrolidine 1,1,6,6-tetraphenyl-2,4-
hexadiyne-1,6-diol
Synonym: Nicotine 1,1,6,6,-tetraphenyl-2,4-hexadiyne-1,6-diol
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KESVIP
Authors/Journal
Authors: R.Kruszynski, T.Sieranski
Chemical
Formula: H12 Ca2 N4 O18,2(C6 H12 N4)
Name: bis(mu!2$-nitrato)-dinitrato-hexa-aqua-di-calcium 1,3,5,7-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.59
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KESVOV
Authors/Journal
Authors: R.Kruszynski, T.Sieranski
Chemical
Formula: H16 N4 O20 Sr2,2(C6 H12 N4)
Name: bis(mu!2$-nitrato)-dinitrato-octa-aqua-di-strontium 1,3,5,7-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.07
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KETZIT
Authors/Journal
Authors: F.Bachechi, M.Flieger, M.Sinibaldi
Chemical
Name: (+)-1-(3-Allylpropyl)-(5R,8S,10R)-N,N-diethyl-N'-(6-
methylergolin-8-yl)urea (S)-(N-(5-(dimethylamino)naphthalenesulfonyl)tryptophan)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEVLIJ
Authors/Journal
Chemical
Name: (1H-indol-3-yl)acetic acid 4,6-dimethylpyrimidin-2-amine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEVLOP
Authors/Journal
Chemical
Name: 4-(1H-indol-3-yl)butanoic acid 4,6-dimethylpyrimidin-2-amine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEWZUI
Authors/Journal
Authors: J.A.Bis, O.L.McLaughlin, P.Vishweshwar, M.J.Zaworotko
Chemical
Name: 4,4'-Biphenol bis(caprolactam)
Synonym: PDB Chemical Component code: ICC
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.05
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEXBAR
Authors/Journal
Authors: J.A.Bis, O.L.McLaughlin, P.Vishweshwar, M.J.Zaworotko
Chemical
Formula: 3(C12 H10 O2),2(C5 H6 N2)
Name: tris(4,4'-Biphenol) bis(2-aminopyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.65
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEXHUR
Authors/Journal
Authors: C.Tamuly, N.Barooah, M.Laskar, R.J.Sarma, J.B.Baruah
Chemical
Name: bis(Benzo(de)benzo(4,5)imidazo(2,1-a)isoquinolin-7-one) 1,3-
dihydroxybenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information: fluorescent
Experimental
R-Factor (%): 5.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEXJIH
Authors/Journal
Authors: C.Tamuly, N.Barooah, M.Laskar, R.J.Sarma, J.B.Baruah
Chemical
Name: bis(7H-Benzo(de)pyrido(2',3':4,5)imidazo(2,1-a)isoquinolin-7-
one) 1,3-dihydroxybenzene
Synonym:
Source:
Melting Point:
Colour: pale brown
Extra Information:
Experimental
R-Factor (%): 6.32
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEXZIX
Authors/Journal
Authors: J.H.Loehlin, E.L.N.Okasako
Chemical
Name: 1,4-phenylenediamine 1,8-octanediol
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 3.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEXZOD
Authors/Journal
Chemical
Name: 1,4-phenylenediamine 1,10-decanediol
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 3.51
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: Space group published as P21/n, we have used P21/c from the
deposited CIF
REFCODE: KEXZUJ
Authors/Journal
Chemical
Name: 1,4-phenylenediamine 1,12-dodecanediol
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 3.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIDNOB
Authors/Journal
Authors: Wen-Hai Wang, Xiao-Yu Su, Jing-Bo Lan, Zhi-Hua Mao, Jing-Song
You, Ru-Gang Xie
Chemical
Formula: C15 H16 N4 O1,0.5(C8 H6 O4)
Name: 2,6-bis((Imidazol-1-yl)methyl)-4-methylphenol
hemikis(terephthalic acid)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.89
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIDNUH
Authors/Journal
Authors: Wen-Hai Wang, Xiao-Yu Su, Jing-Bo Lan, Zhi-Hua Mao, Jing-Song
You, Ru-Gang Xie
Chemical
Name: 2,6-bis((Imidazol-1-yl)methyl)-4-methylphenol terephthalic
acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.03
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIDRUK
Authors/Journal
Authors: D.Stalke, U.Pieper, S.Vollbrecht, U.Klingebiel
Chemical
Formula: C12 H24 Li1 O3,C23 H41 F1 N1 Si1
Name: tetrakis(Tetrahydrofuran-O)-lithium (t-butyl)-(2,4,6-tri-t-
butylphenylimino)-fluoro-methylsilane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KIDSEY
Authors/Journal
Authors: J.Stoesser, G.Rojas, D.Bulfield, P.I.Hidalgo, J.Pasan, C.Ruiz-
Perez, C.A.Jimenez, S.M.Huber
Chemical
Formula: C18 F10 I4,C14 H10 N2 O1
Name: 1$3!,1$4!,1$5!,2$2!,2$4!,2$5!,2$6!,3$3!,3$4!,3$5!-decafluoro-
1$2!,1$6!,3$2!,3$6!-tetraiodo-1$1!,2$1!:2$3!,3$1!-terphenyl 2,5-diphenyl-1,3,4-
oxadiazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIDSIC
Authors/Journal
Authors: J.Stoesser, G.Rojas, D.Bulfield, P.I.Hidalgo, J.Pasan, C.Ruiz-
Perez, C.A.Jimenez, S.M.Huber
Chemical
Formula: 2(C18 F10 I4),C15 H12 N2 O1
Name: bis(1$3!,1$4!,1$5!,2$2!,2$4!,2$5!,2$6!,3$3!,3$4!,3$5!-
decafluoro-1$2!,1$6!,3$2!,3$6!-tetraiodo-1$1!,2$1!:2$3!,3$1!-terphenyl) 2-(4-
methylphenyl)-5-phenyl-1,3,4-oxadiazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIDXEC
Authors/Journal
Authors: A.O.F.Jones, M.-H.Lemee-Cailleau, D.M.S.Martins, G.J.McIntyre,
I.D.H.Oswald, C.R.Pulham, C.K.Spanswick, L.H.Thomas, C.C.Wilson
Chemical
Name: bis(N,N'-dimethylurea) oxalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.68
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIFMUH
Authors/Journal
Authors: E.G.Popova, L.A.Chetkina, A.N.Sobolev, V.K.Bel'skii,
A.M.Andrievskii, A.N.Poplavskii, K.M.Dyumaev
Chemical
Formula: C13 H6 N2 O7,C6 H18 N3 O1 P1
Name: 1-Carboxy-3,7-dinitrodibenzofuran hexamethylphosphoric acid
triamide
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KIHQUQ
Authors/Journal
Authors: P.M.J.Szell, S.A.Gabriel, E.Caron-Poulin, O.Jeannin,
M.Fourmigue, D.L.Bryce
Chemical
Name: 2,3,5,6-tetramethylpyrazine 1,4-diiodobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.31
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIHRAX
Authors/Journal
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene bis(tetramethylpyrazine)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.98
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIHREB
Authors/Journal
Chemical
Name: 2,2'-bipyridine 1,3,5-trifluoro-2,4,6-triiodobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.65
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIHXAB
Authors/Journal
Authors: J.A.Bis, P.Vishweshwar, D.Weyna, M.J.Zaworotko
Chemical
Name: 3-Cyanophenol 4-phenylpyridine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIHXIJ
Authors/Journal
Chemical
Name: bis(3-Cyanophenol) trans-1,2-bis(4-pyridyl)ethene
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.04
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIHXUV
Authors/Journal
Chemical
Name: 4-Cyanophenol 4-phenylpyridine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIHYIK
Authors/Journal
Chemical
Name: bis(4-Cyanophenol) trans-1,2-bis(4-pyridyl)ethene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIHYOQ
Authors/Journal
Chemical
Name: 4-Cyanophenol trans-1,2-bis(4-pyridyl)ethene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.02
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIHZAD
Authors/Journal
Chemical
Name: Resorcinol bis(4-cyanopyridine)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.06
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIHZEH
Authors/Journal
Chemical
Name: 1,3,5-Trihydroxybenzene tris(4-cyanopyridine)
Synonym: Phloroglucinol tris(4-cyanopyridine)
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.86
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIHZIL
Authors/Journal
Chemical
Formula: C18 H14 F4 N2 O4 S1,C12 H10 N2
Name: N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-
fluorophenylsulfonyl)-2-hydroxy-2-methylpropanamide trans-1,2-bis(4-pyridyl)ethene
Synonym: Bicalutamide trans-1,2-bis(4-pyridyl)ethene
Source:
Colour: colorless
Extra Information: Bicalutamide is used in the treatment of prostate cancer
Experimental
R-Factor (%): 5.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes: Study temperature given as 273 K in the cif
REFCODE: KIHZOR
Authors/Journal
Chemical
Name: N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-
fluorophenylsulfonyl)-2-hydroxy-2-methylpropanamide 4,4'-bipyridine
Synonym: Bicalutamide 4,4'-bipyridine
Source:
Colour: colorless
Extra Information: Bicalutamide is used in the treatment of prostate cancer
Experimental
R-Factor (%): 7.24
Temperature: 298
Intensity Meas: 3
Disorder:
REFCODE: KIJLEW
Authors/Journal
Authors: G.Bolla, P.Sanphui, Ashwini Nangia
Chemical
Name: 2-Methyl-3-(pyridinium-2-ylcarbamoyl)-2H-thieno[2,3-e]
[1,2]thiazin-4-olate 1,1-dioxide benzene-1,2,3-triol
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 8.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIJLOG
Authors/Journal
Authors: G.Bolla, P.Sanphui, Ashwini Nangia
Chemical
Name: 2-Methyl-3-(pyridinium-2-ylcarbamoyl)-2H-thieno[2,3-e]
[1,2]thiazin-4-olate 1,1-dioxide propionic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIJSED
Authors/Journal
Authors: P.Sanphui, N.Jagadeesh Babu, Ashwini Nangia
Chemical
carboxamide pyrazine-2-carboxamide
Synonym: Temozolomide pyrazinamide
Source:
Colour: colorless
Experimental
R-Factor (%): 5.32
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIJSIH
Authors/Journal
Chemical
Name: bis(3-Methyl-4-oxo-3,4-dihydroimidazo[5,1-d]
[1,2,3,5]tetrazine-8-carboxamide) 4-hydroxybenzamide
Synonym: bis(Temozolomide) 4-hydroxybenzaamide
Source:
Colour: colorless
Experimental
R-Factor (%): 8.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIJSIH01
Authors/Journal
Chemical
[1,2,3,5]tetrazine-8-carboxamide) 4-hydroxybenzamide
Synonym: bis(Temozolomide) 4-hydroxybenzaamide
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIJSUT
Authors/Journal
Chemical
[1,2,3,5]tetrazine-8-carboxamide) nicotinamide
Synonym: bis(temozolomide) nicotinamide
Source:
Colour: colorless
Experimental
R-Factor (%): 5.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIJTAA
Authors/Journal
Chemical
[1,2,3,5]tetrazine-8-carboxamide) isonicotinamide
Synonym: bis(temozolomide) isonicotinamide
Source:
Colour: colorless
Experimental
R-Factor (%): 5.11
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIJTEE
Authors/Journal
Chemical
carboxamide 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Synonym: temozolomide Caffeine
Source:
Colour: colorless
Experimental
R-Factor (%): 5.73
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KINVAG
Authors/Journal
Authors: Na Geng, Jia-Mei Chen, Zi-Jian Li, Long Jiang, Tong-Bu Lu
Chemical
Name: 2-((3-(3,4-Dimethoxyphenyl)acryloyl)amino)benzoic acid urea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KIRTOU
Authors/Journal
Authors: K.A.Ruud, J.S.Sepeda, F.A.Tibbals, D.C.Hrncir
Chemical
Formula: 3(C24 H22 O3 Si2),2(C4 H4 N2)
Name: tris(1,3-Dihydroxy-1,1,3,3-tetraphenyldisiloxane)
bis(pyridazine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KIXHEE
Authors/Journal
Authors: H.Preut, H.Gotte, R.P.Kreher
Chemical
Formula: C13 H12 Cl1 N1 S1,C6 H3 N3 O6
Name: 5-Chloro-2-isopropyl-2H-1-benzothieno(2,3-c)pyrrole 1,3,5-
trinitrobenzene
Synonym:
Source:
Melting Point: 435K
Colour: red
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KIXVES
Authors/Journal
Authors: S.Goswami, R.Mukherjee, K.Ghosh, I.A.Razak, S.S.S.Raj, Hoong-
Kun Fun
Chemical
Name: 2-Aminopyrimidine (+)-camphoric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KIZVAQ
Authors/Journal
Authors: H.Hosomi, S.Ohba, Y.Ito
Chemical
Name: N-Methylcarbazole 3,5-dinitrobenzonitrile
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KOBFIQ
Authors/Journal
Chemical
Name: N-Ethylcarbazole 3,5-dinitrobenzonitrile
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 6.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KOBNOE01
Authors/Journal
Authors: T.Joselin Beaula, P.Muthuraja, M.Dhandapani, V.Bena Jothy
Chemical
Name: 3,5-dinitrobenzoic acid N,N-dimethylpyridin-4-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KODJES
Authors/Journal
Authors: G.R.Desiraju, C.V.K.M.Sharma
Chemical
Name: 3,5-Dinitrocinnamic acid 2,5-dimethoxycinnamic acid
Synonym: Teaching Subset: Fundamental Chemistry
Source:
Colour: deep yellow
Extra Information:
Experimental
R-Factor (%): 11.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KODWEF
Authors/Journal
Authors: L.R.Nassimbeni, M.L.Niven, K.Tanaka, F.Toda
Chemical
Name: (-)-(R,R)-trans-4,5-bis(Hydroxydiphenylmethyl)-2,3-dimethyl-
1,3-dioxacyclopentane (-)-(R)-6-methylbicyclo(4.4.0)dec-1-en-3-one
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KODWIJ
Authors/Journal
Authors: L.R.Nassimbeni, M.L.Niven, K.Tanaka, F.Toda
Chemical
Name: (-)-(R,R)-trans-4,5-bis(Hydroxydiphenylmethyl)-2,3-dimethyl-
1,3-dioxacyclopentane (-)-(R)-6-methylbicyclo(4.4.0)dec-1-ene-3,5-dione
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KODXUY
Authors/Journal
Authors: D.A.Bashirov, T.S.Sukhikh, N.V.Kuratieva, E.A.Chulanova,
I.V.Yushina, N.P.Gritsan, S.N.Konchenko, A.V.Zibarev
Chemical
Formula: C6 H5 N3 S1,C6 H3 N3 O2 S1
Name: 2,1,3-benzothiadiazol-4-amine 4-nitro-2,1,3-benzothiadiazole
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOFFOB
Authors/Journal
Authors: Fei-Long Hu, Zhong-Jing Huang, Shan-Shan Zhang, Yue Zhuang,
Wei-Qiang Luo
Chemical
Formula: C11 H10 Cl1 N3 O2,C18 H15 O1 P1
Name: 3-Chloro-6-(3,5-dimethyl-1H-pyrazol-1-yl)picolinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOFXIP
Authors/Journal
Authors: Lingxiang Bao
Chemical
(epiminomethanetriylimino)imidazo[4,5-b]pyrazine bis(benzaldehyde)
Synonym: 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane
bis(benzaldehyde); CL-20 bis(benzaldehyde)
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 14.5
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOLSEK
Authors/Journal
Authors: R.Santra, K.Biradha
Chemical
Name: 1,5-Di(pyridin-4-yl)penta-1,4-dien-3-one resorcinol
Synonym: 1,5-Di(pyridin-4-yl)penta-1,4-dien-3-one benzene-1,3-diol
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOMSAG
Authors/Journal
Authors: F.Toda, K.Tanaka, D.Marks, I.Goldberg
Chemical
Name: (R,R)-(-)-trans-4,5-bis(Hydroxydiphenylmethyl)-2,2-dimethyl-
1,3-dioxacyclopentane 5-methoxybicyclo(3.2.1)oct-2-en-4-one
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KOMVIS
Authors/Journal
Authors: Chunyang Zheng, Dunjia Wang, Ling Fan
Chemical
Name: 3-(4-Biphenyl-1-yl)-3-hydroxy-1-phenylprop-2-en-1-one 3-(4-
biphenyl-1-yl)-1-hydroxy-1-phenylprop-1-en-3-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.82
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes: The authors report that this is a co-crystal of the two enol
tautomers
REFCODE: KONVEO
Authors/Journal
Authors: Long-Ze Lin, G.A.Cordell, Chao-Zhou Ni, J.Clardy
Journal: Phytochemistry , 29, 965, 1990
Chemical
Formula: C20 H24 N2 O2,H1 Br1
Name: 19-(S)-Hydroxydihydrokoumine hydrobromide
Synonym:
Source: whole plants of Gelsemium elegans
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.17
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KOPKEH01
Authors/Journal
Authors: Kwang-Joo Kim, J.Ulrich, Kyeong-Sill Lee
Chemical
Name: bis(salicylic acid) 4,4'-bipyridine
Synonym: bis(2-hydroxybenzoic acid) 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOPWIV
Authors/Journal
Authors: G.E.Herberich, U.Englert, C.Ganter, L.Wesemann
Journal: Chem.Ber. , 125, 23, 1992
Chemical
Formula: 2(C6 H16 Li1 N2),C16 H32 B2 N2
Name: bis(Tetramethylethylenediamine-lithium) 2,3-bis(di-
isopropylamino)-2,3-diboratafulvene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KORHAD
Authors/Journal
Authors: N.Sarkar, A.S.Sinha, C.B.Aakeroy
Chemical
Name: oxalic acid bis(4-[(3,5-dimethyl-1H-pyrazol-1-
yl)methyl]benzonitrile)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.89
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOSSOD
Authors/Journal
Authors: C.Diaz-Godinez, J.Ontiveros-Rodriguez, R.Rios-Valencia,
J.E.Herbert-Pucheta, L.G.Zepeda, J.-C.Carrero
Chemical
Name: 6'-hydroxy-5'-methoxy-1'-methyl-2',3',8',8'a-tetrahydro-1'H-
spiro[cyclohexa-2,5-diene-1,7'-cyclopenta[ij]isoquinolin]-4-one
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOSWOG
Authors/Journal
Authors: Yangjian Quan, Zaozao Qiu, Zuowei Xie
Chemical
Formula: C10 H16 B10,C10 H16 B10
Name: 1,3-(2-ethen-1,2-diylphenyl)-1,2-dicarba-closo-dodecborane(10)
1,6-(2-ethen-1,2-diylphenyl)-1,2-dicarba-closo-dodecborane(10)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.15
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOSXUL
Authors/Journal
Authors: N.Thorup, M.Hjorth, J.Larsen, K.Bechgaard
Chemical
Name: Dibenzo(d,d')benzo(1,2-b:4,3-b')dithiophene 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KOTPEO
Authors/Journal
Authors: G.Bocelli, A.Cantoni
Chemical
Formula: 0.5(C12 H12 Cl1 N3),0.5(C12 H12 Cl1 N3)
Name: N-(4-Chlorobenzylidene)-2-(4-imidazolyl)ethylamine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KOVBII
Authors/Journal
Authors: yunfeng chen, s.t.et al
Chemical
Name: 1-(4-methoxyphenyl)-5-phenyl[1,2,3]triazolo[5,1-a]isoquinoline
5-(4-methoxyphenyl)-1-phenyl[1,2,3]triazolo[5,1-a]isoquinoline
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOVSAR
Authors/Journal
Authors: Jian-Rong Wang, Chanjuan Ye, Bingqing Zhu, Chun Zhou, Xuefeng
Mei
Chemical
Name: tetrakis(pyrazine-2-carboxamide) hexanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.98
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOVSEV
Authors/Journal
Mei
Chemical
Name: bis(pyrazine-2-carboxamide) decanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.68
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOVSIZ
Authors/Journal
Mei
Chemical
Name: prop-1-ene-1,2,3-tricarboxylic acid pyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.16
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOVSOF
Authors/Journal
Mei
Chemical
Name: pyrazine-2-carboxamide 2-hydroxypropane-1,2,3-tricarboxylate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.42
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOYCUY
Authors/Journal
Authors: Yang-Hui Luo
Chemical
Formula: C27 H26 N6 O3,0.5(C4 H4 O4)
Name: ethyl N-((2-(((4-cyanophenyl)amino)methyl)-1-methyl-1H-
benzimidazol-5-yl)carbonyl)-N-pyridin-2-yl-beta-alaninate hemikis(but-2-enedioate)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KOYNER
Authors/Journal
Authors: E.F.Paulus, C.Porz
Chemical
Formula: C6 H10 O6 S2,2(C4 H9 N1 O1)
Name: meso-(R,R,S,S)-trans-4,5,4',5'-Tetrahydroxy-2,2'-bi(1,3-
thiaoxolane) dimethylacetamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.85
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KOZZAD
Authors/Journal
Authors: Weizhou Wang
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene 1$4!,2$3!:2$5!,3$4!-
terpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.13
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KPIPFA10
Authors/Journal
Authors: G.Kartha, K.I.Varughese, C.T.Lu
1798, 1981
Chemical
Name: 2,5-Piperazinedione bis(formic acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KUCCUG
Authors/Journal
Chemical
Formula: C9 H6 O6,2(C18 H15 O1 P1)
Name: Benzene-1,3,5-tricarboxylic acid bis(triphenylphosphine oxide)
Synonym:
Source:
Colour: colorless
Extra Information: may have herbicidal activity
Experimental
R-Factor (%): 8.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KUCDAN
Authors/Journal
Chemical
Formula: C8 H5 Cl3 O3,C18 H15 O1 P1
Name: (2,4,5-Trichlorophenoxy)acetic acid triphenylphosphine oxide
Synonym:
Source:
Colour: colorless
Extra Information: may have herbicidal activity
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KUCGIA
Authors/Journal
Authors: A.R.Choudhury, D.S.Yufit, J.A.K.Howard
Journal: Z.Krist.Cryst.Mater. , 229, 625, 2014
Chemical
Name: 2-Fluoroaniline 2-methylphenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.76
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUDRUZ
Authors/Journal
Authors: Kang Zheng, Sijia Gao, Meishan Chen, Ao Li, Weiwei Wu,
Shaosong Qian, Qiuxiang Pang
Chemical
Name: benzene-1,2,3-triol 2-(2-methyl-5-nitro-1H-imidazol-1-
yl)ethan-1-ol
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUGKUV
Authors/Journal
Authors: S.Aitipamula, S.Das
Journal: Eur.J.Pharm. and Biopharm. , 149, 95, 2020
Chemical
Name: 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid pyridine-4-
carboxamide
Synonym: ferulic acid isonicotinamide
Source:
Melting Point:
Colour:
Extra Information: ferulic acid is an antioxidant
Experimental
R-Factor (%): 5.98
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUGLAC
Authors/Journal
Authors: S.Aitipamula, S.Das
Journal: Eur.J.Pharm. and Biopharm. , 149, 95, 2020
Chemical
Name: 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid bis(urea)
Synonym: ferulic acid bis(urea)
Source:
Melting Point:
Colour:
Extra Information: ferulic acid is an antioxidant
Experimental
R-Factor (%): 12.27
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUMROZ
Authors/Journal
Authors: A.Kalman, G.Argay, D.Zivanov-Stakic, S.Vladimirov, B.Ribar
Chemical
Formula: 0.36(C23 H34 O4),0.63(C23 H32 O4)
Name: Digitoxigenin bis(digirezigenin)
Synonym: PDB Chemical Component code: DTX
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KUMYOI
Authors/Journal
Authors: L.Sebaoun, V.Maurizot, T.Granier, B.Kauffmann, Ivan Huc
Chemical
Name: 4,6-dinitro-N,N'-bis(4-nitrophenyl)benzene-1,3-diamine
nitrobenzene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.07
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUPNEP
Authors/Journal
Authors: T.Mecca, G.M.L.Consoli, C.Geraci, M.Camalli, G.Campi, R.Spagna
Chemical
Formula: C88 H112 O8,6(C5 H11 N1 O1)
Name: 5,11,17,23,29,35,41,47-Octa-t-
butylnonacyclo[43.3.1.1$3,7!.1$9,13!.1$15,19!.1$21,25!.1$27,31!.1$33,37!.1$39,43!]h
exapentaconta-
1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27(52),28,30,33(51),34,36,39(
50),40,42,45,47-tetracosaene-49,50,51,52,53,54,55,56-octol hexakis(4-
methylmorpholine)
Synonym: 5,11,17,23,29,35,41,47-Octa-t-butyl-49,50,51,52,53,54,55,56-
octahydroxycalix(8)arene hexakis(4-methylmorpholine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: synchrotron radiation; at 293 K
CCDC Notes:
REFCODE: KUQWIF
Authors/Journal
Chemical
Formula: C14 H12 S1,C8 I2 N2 O2
Name: 4,6-dimethyldibenzo[b,d]thiophene 4,5-diiodo-3,6-
Synonym: 4,6-dimethyldibenzothiophene 2,3-diiodo-5,6-
dicyanobenzoquinone
Source:
Melting Point:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 2.86
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUQWOL
Authors/Journal
Chemical
Name: dibenzo[b,d]thiophene 3,6-dioxocyclohexa-1,4-diene-1,2-
dicarbonitrile
Synonym: dibenzothiophene 2,3-dicyano-1,4-benzoquinone
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 8.05
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUQWUR
Authors/Journal
Chemical
Formula: C12 H8 S1,C8 I2 N2 O2
Name: dibenzo[b,d]thiophene 4,5-diiodo-3,6-dioxocyclohexa-1,4-diene-
1,2-dicarbonitrile
Synonym: dibenzothiophene 2,3-diiodo-5,6-dicyanobenzoquinone
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 8.45
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUQXAY
Authors/Journal
Chemical
Name: dibenzo[b,d]thiophene 4,5-dibromo-3,6-dioxocyclohexa-1,4-
diene-1,2-dicarbonitrile
Synonym: dibenzothiophene 2,3-dibromo-5,6-dicyanobenzoquinone
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUQXIG
Authors/Journal
Chemical
Name: dibenzo[b,d]thiophene 4,5-dichloro-3,6-dioxocyclohexa-1,4-
Synonym: dibenzothiophene 2,3-dichloro-5,6-dicyanobenzoquinone
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 2.24
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUQXOM
Authors/Journal
Chemical
Name: phenanthrene 3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
Synonym: phenanthrene 2,3-dicyano-1,4-benzoquinone
Source:
Melting Point:
Colour: metallic dark red
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUQXUS
Authors/Journal
Chemical
Formula: C14 H10,C8 Br2 N2 O2
Name: phenanthrene 4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-
dicarbonitrile
Synonym: phenanthrene 2,3-dibromo-5,6-dicyanobenzoquinone
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.73
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUQYAZ
Authors/Journal
Chemical
Formula: C12 H8 Se1,C8 Br2 N2 O2
Name: dibenzo[b,d]selenophene 4,5-dibromo-3,6-dioxocyclohexa-1,4-
Synonym: dibenzoselenophene 2,3-dibromo-5,6-dicyanobenzoquinone
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUQYED
Authors/Journal
Chemical
Name: 4,6-dimethyldibenzo[b,d]thiophene 3,6-dioxocyclohexa-1,4-
Synonym: 4,6-dimethyldibenzothiophene 2,3-dicyano-1,4-benzoquinone
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.04
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUQYUT
Authors/Journal
Chemical
Formula: C14 H10,C8 I2 N2 O2
Name: phenanthrene 4,5-diiodo-3,6-dioxocyclohexa-1,4-diene-1,2-
dicarbonitrile
Synonym: phenanthrene 2,3-diiodo-5,6-dicyanobenzoquinone
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.18
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUQZAA
Authors/Journal
Chemical
Formula: C14 H12 Se1,C8 I2 N2 O2
Name: 4,6-dimethyldibenzo[b,d]selenophene 4,5-diiodo-3,6-
Synonym: 4,6-dimethyldibenzoselenophene 2,3-diiodo-5,6-
dicyanobenzoquinone
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 6.09
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KURGOU
Authors/Journal
Authors: G.J.Perpetuo, J.Janczak
Chemical
Name: bis(5-chloropyridin-2-amine) (2E)-but-2-enedioate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.14
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUTBUW
Authors/Journal
Authors: M.M.Ilczyszyn, T.Lis, J.Baran, H.Ratajczak
Chemical
Formula: 2(C5 H11 N1 O2),H6 O6 Te1
Name: bis(Betaine) telluric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.15
Temperature: 303
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWDEL
Authors/Journal
Authors: F.Cristiani, F.Demartin, F.A.Devillanova, F.Isaia, G.Saba,
G.Verani
Chemical
Name: 5,5-Dimethylimidazolidine-2,4-dithione di-iodine
Synonym:
Source:
Melting Point:
Colour: deep red
Extra Information:
Experimental
R-Factor (%): 2.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KUWDIP
Authors/Journal
G.Verani
Chemical
Formula: C5 H8 N2 S2,2(I2)
Name: 5,5-Dimethylimidazolidine-2,4-dithione bis(di-iodine)
Synonym:
Source:
Melting Point:
Colour: deep red
Extra Information:
Experimental
R-Factor (%): 2.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KUWDOV
Authors/Journal
G.Verani
Chemical
Formula: C5 H8 N2 O1 S1,I2
Name: 5,5-Dimethyl-2-thioxoimidazolidin-4-one di-iodine
Synonym:
Source:
Melting Point:
Colour: deep red
Extra Information:
Experimental
R-Factor (%): 2.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KUWDUB
Authors/Journal
G.Verani
Chemical
Formula: C5 H8 N2 O1 Se1,I2
Name: 5,5-Dimethyl-2-selenoimidazolidine-4-one di-iodine
Synonym:
Source:
Melting Point:
Colour: deep red
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: KUWHAN
Authors/Journal
Authors: O.Makhotkina, J.Lieffrig, O.Jeannin, M.Fourmigue, E.Aubert,
E.Espinosa
Chemical
Name: N-Iodosuccinimide 4-picoline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWHAN01
Authors/Journal
Authors: V.Stilinovic, G.Horvat, T.Hrenar, V.Nemec, D.Cincic
Chemical
Formula: C4 H4 I1 N1 O2,C6 H7 N1
Name: 1-iodopyrrolidine-2,5-dione 4-methylpyridine
Synonym: N-Iodosuccinimide 4-picoline
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.84
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWHER
Authors/Journal
E.Espinosa
Chemical
Name: N-Iodosuccinimide 4-(dimethylamino)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWHER01
Authors/Journal
Chemical
Name: 1-iodopyrrolidine-2,5-dione N,N-dimethylpyridin-4-amine
Synonym: N-Iodosuccinimide 4-(dimethylamino)pyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.58
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWHIV
Authors/Journal
E.Espinosa
Chemical
Formula: C7 H4 I1 N1 O3 S1,C6 H7 N1
Name: N-Iodosaccharin 4-picoline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWNIB
Authors/Journal
Authors: C.B.Aakeroy, T.K.Wijethunga, J.Desper, M.akovic
Chemical
Formula: C8 H12 N2 O2,2(C8 H3 I1 N2 O4)
Name: 2,3,5,6-tetramethylpyrazine-1,4-dioxide bis(1-(iodoethynyl)-
3,5-dinitrobenzene)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.31
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWPEZ
Authors/Journal
Authors: K.S.Eccles, R.E.Morrison, A.S.Sinha, A.R.Maguire, S.E.Lawrence
Chemical
Formula: 2(C7 H7 N1 S1),3(C6 F4 I2)
Name: bis(benzenecarbothioamide) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.92
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWPID
Authors/Journal
Chemical
Formula: 2(C8 H9 N1 S1),C6 F4 I2
Name: bis(2-methylbenzenecarbothioamide) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.47
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWPUP
Authors/Journal
Chemical
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.39
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWPUP01
Authors/Journal
Chemical
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.27
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWQUQ
Authors/Journal
Chemical
Name: bis(3-nitrobenzenecarbothioamide) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.46
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWRAX
Authors/Journal
Chemical
Formula: C7 H6 F1 N1 S1,C6 F4 I2
Name: 2-fluorobenzenecarbothioamide 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWREB
Authors/Journal
Chemical
Formula: 2(C7 H6 Cl1 N1 S1),1.5(C6 F4 I2)
Name: bis(2-chlorobenzenecarbothioamide) sesquikis(1,2,4,5-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.94
Temperature: 286
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWRIF
Authors/Journal
Chemical
Formula: 2(C7 H6 Cl1 N1 S1),C6 F4 I2
Name: bis(4-chlorobenzenecarbothioamide) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.89
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWVEF
Authors/Journal
Authors: A.Salmeron-Valverde, S.Bernes
Chemical
Name: 4,5,7-trinitro-9-oxo-9H-fluorene-2-carboxylic acid 2-(1,3-
dithiol-2-ylidene)-1,3-dithiole
Synonym: 4,5,7-trinitro-9-fluorenone-2-carboxylic acid 2,2'-bis(1,3-
dithiolylidene)
Source:
Colour: dark green
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUWVIJ
Authors/Journal
Chemical
Name: methyl 4,5,7-trinitro-9-oxo-9H-fluorene-2-carboxylate 2-(1,3-
dithiol-2-ylidene)-1,3-dithiole
Synonym: (4,5,7-trinitro-9-fluorenone-2-carboxylic acid methyl ester)
2,2'-bis(1,3-dithiolylidene)
Source:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUZGIW
Authors/Journal
Authors: H.-L.Wang, X.-B.Chen, X.-H.Yang, D.-F.Pan, J.-K.Ma
Chemical
Formula: C20 H15 N3 O2,C18 H15 O1 P1
Name: 2-Anilino-3-(2-hydroxyphenyl)quinazolin-4(3H)-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.69
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KUZZUB
Authors/Journal
Authors: S.Ebenezer, P.T.Muthiah
Chemical
Name: 4,6-Dimethoxypyrimidin-2-amine 2-(1H-indol-3-yl)acetic acid
Synonym: 1H-Indol-3-ylacetic acid 4,6-dimethoxypyrimidin-2-amine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.61
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LABGOK
Authors/Journal
Chemical
Name: Triphenylphosphine oxide (3,4-dichlorophenoxy)acetic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LABZUJ
Authors/Journal
Authors: G.Sridhar Prasad, M.Vijayan
Chemical
Name: DL-Proline hemisuccinic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LACDIC
Authors/Journal
Authors: Yu.A.Simonov, M.S.Fonar, E.V.Ganin, A.A.Dvorkin, G.G.Musienko,
E.N.Krylov, T.I.Malinovskii
Chemical
Name: cis-anti-cis-Dicyclohexano-18-crown-6 bis(2-
methylbenzenesulfamide)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Gamma is 80.55, not 99.55
REFCODE: LACSUG
Authors/Journal
Authors: P.K.Goswami, R.Thaimattam, A.Ramanan
Chemical
Name: 4-amino-2-hydroxybenzoic acid pyrazine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.22
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LACTAN
Authors/Journal
Chemical
Name: 4-amino-2-hydroxybenzoic acid pyrimidine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.91
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LACTER
Authors/Journal
Chemical
Name: 4-amino-2-hydroxybenzoic acid hemikis(pyridazine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.55
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LACTIV
Authors/Journal
Chemical
Name: 4-amino-2-hydroxybenzoic acid bis(phenazine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 9.77
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LACTOB
Authors/Journal
Chemical
Name: 4-amino-2-hydroxybenzoic acid 4-(pyridin-4-
yldisulfanyl)pyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 8.26
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LACTUH
Authors/Journal
Chemical
Name: 4-amino-2-hydroxybenzoic acid 4-(3-(pyridin-4-
yl)propyl)pyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.98
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LACVAP
Authors/Journal
Chemical
Formula: C7 H7 N1 O3,0.5(C13 H14 N2)
Name: 4-amino-2-hydroxybenzoic acid hemikis(4-(3-(pyridin-4-
yl)propyl)pyridine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 24.4
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LACWEU
Authors/Journal
Chemical
Name: isonicotinonitrile 4-amino-2-hydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.56
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LACWIY
Authors/Journal
Chemical
Name: 4-amino-2-hydroxybenzoic acid hemikis(pyrazine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.05
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LADBIB01
Authors/Journal
Authors: R.G.Raptis, R.J.Staples, C.King, J.P.Fackler Junior
Chemical
Formula: 0.5(C30 H23 N4),0.5(C30 H25 N4)
Name: (mu!2$-Hydrido)-bi(3,5-diphenylpyrazolyl)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Hydrogen-bonded dimer further H-bonded to tetramer
REFCODE: LAFLEN
Authors/Journal
Authors: Lijun Mao, Yang Hu, Qian Tu, Wei-Ling Jiang, Xiao-Li Zhao,
Wenjing Wang, Daqiang Yuan, Jin Wen, Xueliang Shi
Journal: Nat.Commun. , , 5806, 2020
Chemical
Name: 2,12,22-trimethyl-2,12,22-
triazaheptacyclo[26.2.2.2$3,6!.2$8,11!.2$13,16!.2$18,21!.2$23,26!]dotetraconta-
1(30),3,5,8,10,13,15,18,20,23,25,28,31,33,35,37,39,41-octadecaene ethene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAGGEI
Authors/Journal
Authors: Wang Qingming
Chemical
Name: 2-hydroxy-3,5-dinitrobenzoic acid benzene-1,2-diamine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.61
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes: The positions of the carboxy and alkoxy hydrogen atoms appear
to be in error and the carboxy hydrogen has been suppressed. In the absence of
clarification of hydrogen positions from the author, both moieties have been
represented as neutral
REFCODE: LAGNAI
Authors/Journal
Authors: D.S.Reddy, B.S.Goud, K.Panneerselvam, G.R.Desiraju
Chemical
Name: 1,3,5-Tricyanobenzene hexamethylbenzene
Synonym: Teaching Subset: Fundamental Chemistry, Symmetry
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LAGSOE
Authors/Journal
Authors: A.Chand
Chemical
Name: 3-hydroxysalicylic acid isonicotinamide
Synonym: 2,3-dihydroxybenzoic acid isonicotinamide
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.21
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAGTAR
Authors/Journal
Authors: A.Chand
Chemical
Name: 5-hydroxysalicylic acid isonicotinamide
Synonym: 2,5-dihydroxybenzoic acid isonicotinamide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.64
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAGVAU
Authors/Journal
Authors: L.Casali, L.Mazzei, O.Shemchuk, L.Sharma, K.Honer, F.Grepioni,
S.Ciurli, D.Braga, J.Baltrusaitis
Journal: ACS Sustain.Chem.Eng. , 7, 2852, 2019
Chemical
Name: urea benzene-1,2-diol
Synonym:
Source:
Colour: colorless
Extra Information: Hygroscopic
Experimental
R-Factor (%): 6.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LALVED
Authors/Journal
Authors: S.Goswami, A.Ghosh, K.Borah, A.Mahanta, Ankur K Guha, S.J.Bora
Chemical
Name: 3,4,5-trihydroxybenzoic acid pyridine-4-carbonitrile
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAPKUJ
Authors/Journal
Authors: Qingdao Zeng, Dongxia Wu, Caiming Liu, Hongwei Ma, Jun Lu,
Shandong Xu, Yan Li, Chen Wang, Chunli Bai
Chemical
Formula: C25 H18 O2,0.5(C12 H12 N2)
Name: 4,4'-(9-Fluorenylidene)diphenol hemikis(1,2-bis(4-
pyridyl)ethane)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAPLAQ
Authors/Journal
Chemical
Formula: 2(C25 H18 O2),C12 H10 N2
Name: bis(4,4'-(9-Fluorenylidene)diphenol) 1,2-bis(4-pyridyl)ethene
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAPLEU
Authors/Journal
Chemical
Name: 4,4'-(9-Fluorenylidene)diphenol 4,4'-bipyridine N,N'-dioxide
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.42
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAPLIY
Authors/Journal
Chemical
Name: 4,4'-Cyclohexylidenebisphenol 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.08
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAPLOE
Authors/Journal
Chemical
Name: 4,4'-(9-Fluorenylidene)diphenol 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAPSAX
Authors/Journal
Authors: Shizheng Zhu, Shifa Zhu, Guifang Jin, Zhanting Li
Chemical
Formula: C13 H6 F5 N1,C13 H6 F5 N1
Name: N-Phenyl -pentafluorobenzaldimine N-pentafluorophenyl-
benzaldimine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAPSEB
Authors/Journal
Authors: Shizheng Zhu, Shifa Zhu, Guifang Jin, Zhanting Li
Chemical
Formula: C13 H11 N1,C13 H1 F10 N1
Name: N-Phenyl-benzaldimine N-pentafluorophenyl-
pentafluorobenzaldimine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAPXEH
Authors/Journal
Authors: S.Jung, J.-M.Ha, I.W.Kim
Chemical
Formula: 2(C20 H32 N5 O8 P1),C4 H6 O4
Name: bis(bis[(2,2-dimethylpropanoyloxy)methyl]((2-(6-amino-9H-
purin-9-yl)ethoxy)methyl)phosphonate) succinic acid
Synonym: bis(Adefovir dipivoxil) succinic acid
Source:
Colour: colorless
Extra Information: Adefovir dipivoxil is a broad-spectrum antiviral
Experimental
R-Factor (%): 4.62
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LARVUY
Authors/Journal
Authors: Yang-Hui Luo, Jing-Wen Wang, Chen Chen, Yao-Jia Li, Bai-Wang
Sun
Chemical
Name: bis(1H-imidazole-4,5-dicarbonitrile) 18-crown-6
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LARVUY01
Authors/Journal
Sun
Chemical
Synonym:
Source:
Melting Point:
Colour:
Extra Information: Crystallised in 0.5 T magnetic field
Experimental
R-Factor (%): 8.61
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LARVUY02
Authors/Journal
Sun
Chemical
Synonym:
Source:
Melting Point:
Colour:
Extra Information: Crystallised in 1.0T magnetic field
Experimental
R-Factor (%): 7.04
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LATFUJ
Authors/Journal
Authors: S.Ghosh, C.M.Reddy
Chemical
Formula: C8 H10 N4 O2,C6 H5 I1 N2 O2
Name: Caffeine 2-iodo-4-nitroaniline
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.43
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LATGAQ
Authors/Journal
Chemical
Name: Caffeine 4-iodo-3-nitroaniline
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 2.56
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LATGUK
Authors/Journal
Chemical
Name: Caffeine 4-nitroaniline
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LATHAR
Authors/Journal
Chemical
Name: Caffeine 2,4-dinitrobenzoic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LATHEV
Authors/Journal
Chemical
Name: Caffeine 2-fluoro-5-nitroaniline
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.88
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LATHIZ
Authors/Journal
Chemical
Name: Caffeine 2-fluoro-5-nitrobenzoic acid
Synonym:
Source:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.57
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LATTAD
Authors/Journal
Chemical
Name: bis(Isonicotinohydrazide) fumaric acid
Synonym: bis(Isoniazid) fumaric acid
Source:
Melting Point:
Colour: colorless
Extra Information: Isoniazid is an antituberculosis drug
Experimental
R-Factor (%): 3.66
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LATTIL
Authors/Journal
Chemical
Name: Pyrazine-2-carboxamide hemikis(but-2-enedioic acid)
Synonym: Pyrazinamide hemikis(fumaric acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LATTOR
Authors/Journal
Chemical
Name: Pyrazine-2-carboxamide hemikis(succinic acid)
Synonym: Pyrazinamide hemikis(succinic acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.24
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LATTOR01
Authors/Journal
Authors: Yang-Hui Luo, Bai-Wang Sun
Chemical
Name: Pyrazine-2-carboxamide hemikis(succinic acid)
Synonym: Pyrazinamide hemikis(succinic acid)
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAVGOE
Authors/Journal
Authors: K.A.Abboud, L.A.Villanueva, J.M.Boncella
Chemical
Formula: C9 H14 N1 P1,C6 H7 N1
Name: bis(Trimethylphosphine phenylimide) bis(aniline)
Synonym:
Source:
Melting Point:
Colour: Light brown
Extra Information:
Experimental
R-Factor (%): 5.46
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Tetramers are formed by H bonds between the amino H atoms and
the N atoms of the phosphazene molecules
REFCODE: LAVLEC
Authors/Journal
Authors: K.Chadha, M.Karan, Y.Bhalla, Renu Chadha, S.Khullar, S.Mandal,
K.Vasisht
Chemical
Name: 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-
chromen-4-one nicotinamide
Synonym: Hesperetin nicotinamide
Source:
Colour: white
Extra Information: hesperetin is a powerful antioxidant
Experimental
R-Factor (%): 22.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes: We calculate 24.47 percent void space
REFCODE: LAVLIG
Authors/Journal
Authors: K.Chadha, M.Karan, Y.Bhalla, Renu Chadha, S.Khullar, S.Mandal,
K.Vasisht
Chemical
Name: Hesperetin pyridinium-2-carboxylate
Synonym:
Source:
Melting Point:
Colour: pale white
Extra Information:
Experimental
R-Factor (%): 5.27
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAWKIE
Authors/Journal
Authors: I.Fujii, H.Baba, Y.Takahashi
Chemical
Name: L-(R)-cysteine L-(S)-mandelic acid
Synonym:
Source:
Colour:
Extra Information: for stereoisomer see [RAZPUE]
Experimental
R-Factor (%): 4.8
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAZMEE01
Authors/Journal
Authors: G.Roth, P.Adelmann
Journal: J.Phys.I , 2, 1541, 1992
Chemical
Formula: C70,6(S8)
Name: C70Fullerene hexakis(octathiocane)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.79
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LAZPIO
Authors/Journal
Authors: R.P.Jebin, T.Suthan
Chemical
Name: 3,4-dimethoxybenzaldehyde 2,4-dinitroaniline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.51
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAZVIU
Authors/Journal
Authors: K.Vasisht, K.Chadha, M.Karan, Renu Chadha
Chemical
4-one pyridine-4-carboxamide
Synonym: naringenin isonicotinamide
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 298
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LAZXES
Authors/Journal
Authors: D.Capucci, D.Balestri, P.P.Mazzeo, P.Pelagatti, K.Rubini,
A.Bacchi
Chemical
Name: 3-(1-methylpyrrolidin-2-yl)pyridine 1,2,4,5-tetrafluoro-3,6-
di-iodobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.28
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LECDOP
Authors/Journal
Authors: Gao-Ju Wen, Lian-Shuai Gu, Bai-Wang Sun
Chemical
Name: bis(4-hydroxybenzene-1,3-dicarboxylic acid) 2-methylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LECDUV
Authors/Journal
Chemical
Name: bis(4-hydroxybenzene-1,3-dicarboxylic acid) 2,3-
dimethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LECFAD
Authors/Journal
Chemical
Name: bis(4-hydroxybenzene-1,3-dicarboxylic acid)
tetramethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEDJIO
Authors/Journal
Authors: M.G.Amiri, Z.R.Ranjbar, A.Morsali, Hong-Ping Xiao
Chemical
Name: 2,2'-Diamino-4,4'-bi(1,3)thiazole 4,4'-bipyridine
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEDVOH
Authors/Journal
Authors: V.Dyulgerov, R.P.Nikolova, L.T.Dimova, B.L.Shivachev
Chemical
Name: 3-(Dihydroxyboryl)benzoic acid 1,3-dimethyl-3,7-dihydro-1H-
purine-2,6-dione
Synonym: 3-(Dihydroxyboryl)benzoic acid theophylline
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.96
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEFQUK
Authors/Journal
Authors: S.K.Mohamed, M.A.Farrukh, M.Akkurt, M.R.Albayati,
A.A.Abdelhamid
Chemical
Name: (1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid N'-(2-
methoxybenzylidene)isonicotinohydrazide
Synonym: 2-(1,3-Dioxoisoindolin-2-yl)aceticacid N'-[(E)-2-
methoxybenzylidene]pyridine-4-carbohydrazide
Source:
Melting Point: 449K
Colour: white
Extra Information:
Experimental
R-Factor (%): 5.52
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEGPIY
Authors/Journal
Authors: P.Lhengwan, S.Achiwawanich, T.Duangthongyou
Chemical
Formula: 1.5(C10 H8 N2),C7 H7 N1 O2
Name: 3-Aminobenzoic acid sesquikis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.05
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEHMIV
Authors/Journal
Authors: Zhi-Xiong Liu, Xiang-Gao Meng
Chemical
Name: 8-Hydroxyquinoline 5-methyl-1H-imidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.93
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEJROH
Authors/Journal
Authors: D.E.Lynch, G.Smith, K.A.Byriel, C.H.L.Kennard, A.K.Whittaker
Chemical
Name: Pyrazine-2,3-dicarboxylic acid 3-hydroxypyridine
Synonym:
Source:
Colour: pale-brown
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The coordinates of atom H1 appear to be incorrect.We have
represented the chemistry as described in the paper
REFCODE: LELHOC
Authors/Journal
Authors: Chang-Sheng Gu, Xiao-Min Hao, Huan-Yao Hou, Yi-Wen Chen, Zhi-
Ling Li, Yong Li, Wen-Dong Song
Journal: Wuji Huaxue Xuebao(Chin.)(Chin.J.Inorg.Chem.) , 33, 2278, 2017
Chemical
Formula: C16 H18 Cl4 Mg1 O8,2(C10 H8 N2)
Name: tetraaqua-bis((2,4-dichlorophenyl)acetato)-magnesium(ii)
bis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.05
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LENGOA
Authors/Journal
Authors: P.Beerges, J.Kudnik, G.Klar, E.S.Martinez, R.D.Calleja
Chemical
Formula: C12 H9 N1 S1,C6 N4
Name: Phenothiazine tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LEPNAX
Authors/Journal
Authors: A.Drzewiecka, A.E.Koziol, T.P.Ruiz, M.F.Gomez, M.Struga,
J.Kossakowski, K.Ostrowska, T.Lis
Chemical
Formula: C26 H23 Na1 O10,C13 H12 O5
Name: (7-Acetyl-6-methoxy-3-methyl-1-benzofuran-2-carboxylato)-(7-
acetyl-6-methoxy-3-methyl-1-benzofuran-2-carboxylic acid)-sodium 7-acetyl-6-
methoxy-3-methyl-1-benzofuran-2-carboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.45
Temperature: 293
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEPZUC
Authors/Journal
Authors: Hongyu Zhang, Zuolun Zhang, Kaiqi Ye, Jingying Zhang, Yue Wang
Journal: Adv.Mater. , 18, 2369, 2006
Chemical
Formula: 2(C17 H12 N2),C17 H12 N2
Name: bis(3-(9-anthryl)pyrazole) 5-(9-anthryl)pyrazole
Synonym:
Source:
Melting Point:
Colour: green
Extra Information: green luminescent
Experimental
R-Factor (%): 5.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEQXAG
Authors/Journal
Authors: Z.Dega-Szafran, Z.Kosturkiewicz, E.Tykarska, M.Szafran,
D.Lemanski, B.Nogaj
Chemical
Name: 2,6-Dimethylpyridine N-oxide bis(pentachlorophenol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.59
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LESBOC
Authors/Journal
Authors: Gao-Zhang Gou, Jun-Feng Kou, Qing-Di Zhou, Shao-Ming Chi
Chemical
Name: N-(7-Dibromomethyl-5-methyl-1,8-naphthyridin-2-yl)acetamide
pyrrolidine-2,5-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.07
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LETBIX
Authors/Journal
Authors: A.B.de Oliveira, J.Beck, J.Daniels, J.N.Santos, B.R.S.Feitosa
Chemical
Name: 1-Aminoanthraquinone 2-[4-(dicyanomethylidene)cyclohexa-2,5-
dien-1-ylidene]propanedinitrile
Synonym: Aminoanthrachinone tetracyanchinodimethane
Source:
Melting Point:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LETSAG
Authors/Journal
Authors: A.Sikorski, D.Trzybinski
Chemical
Name: Acridine 4-fluorobenzoic acid
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.65
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEWBAR
Authors/Journal
Authors: Z.R.Ranjbar, A.Morsali, Long-Guan Zhu
Chemical
Name: 2,2'-diamino-4,4'-bis(1,3-thiazole) 1,2-bis(4-pyridyl)ethene
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEWBEV
Authors/Journal
Authors: Z.R.Ranjbar, A.Morsali, Long-Guan Zhu
Chemical
Name: 2,2'-diamino-4,4'-bis(1,3-thiazole) 1,3-bis(4-pyridyl)propane
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.31
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEWPUY
Authors/Journal
Authors: D.E.Lynch, G.Smith, D.Freney, K.A.Byriel, C.H.L.Kennard
Chemical
Name: 2-Aminopyrimidine 4-aminobenzoic acid
Synonym: PDB Chemical Component code: PAB
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LEWRAG
Authors/Journal
Chemical
Name: 2-Aminopyrimidine bis(phenoxyacetic acid)
Synonym: PDB Chemical Component code: 06Y; PDB Chemical Component code:
LGA
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 1.63
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LEWREK
Authors/Journal
Chemical
Name: 2-Aminopyrimidine (2,4-dichlorophenoxy)acetic acid
Synonym:
Source:
Colour: white
Extra Information:
Experimental
R-Factor (%): 3.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LEWRIO
Authors/Journal
Chemical
Name: 2-Aminopyrimidine (3,4-dichlorophenoxy)acetic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LEWTAK
Authors/Journal
Authors: A.Alhalaweh, S.George, S.Basavoju, S.Childs, S.A.A.Rizvi,
S.Velaga
Chemical
Name: 1-(((5-Nitro-2-furyl)methylene)amino)imidazolidine-2,4-dione
2-hydroxypropane-1,2,3-tricarboxylate
Synonym: Nitrofurantoin citric acid
Source:
Melting Point:
Colour: colorless
Extra Information: Nitrofurantoin is used in the treatment of urinary tract
infections
Experimental
R-Factor (%): 4.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEXQAJ
Authors/Journal
Authors: Qiang Fu, Yang Han, Yi-fei Xie, Ning-bo Gong, Fang Guo
Chemical
Name: 2,3-dihydroxybenzoic acid 5H-dibenzo[b,f]azepine-5-carboxamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.83
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEZQUE
Authors/Journal
Authors: Jiong Duan, Ping Guo, Qing-Qing Pan, You Wu, Xiao-Qing Wu, Hui
Li
Chemical
Name: 2-Hydroxybenzoic acid 1H-benzotriazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEZQUE01
Authors/Journal
Authors: Lei Wang, Lei Zhao, Rui Yu Xue, Xi Feng Lu, Yong Hong Wen, Yu
Yang
Chemical
Name: 2-hydroxybenzoic acid 1H-benzotriazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LICJUD
Authors/Journal
Authors: Ben-Yong Lou, Yan-Bin Huang
Chemical
Name: 4,4'-Bipyridyl N,N'-dioxide bis(3-hydroxy-2-naphthoic acid)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.14
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LICSAR
Authors/Journal
Authors: T.Hemscheidt, M.P.Puglisi, L.K.Larsen, G.M.L.Patterson,
R.E.Moore, J.L.Rios, J.Clardy
Chemical
Formula: C44 H68 B1 Na1 O14,C45 H72 B1 Na1 O15
Name: Borophycin sodium methanol
Synonym:
Source: extract of blue-green alga Nostoc linckia
Melting Point:
Colour: colorless
Extra Information: cytotoxic activity
Experimental
R-Factor (%): 5.03
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LIDMIX
Authors/Journal
Chemical
Name: 3,5-dinitrobenzoic acid 4-methoxybenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.25
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIDNAQ
Authors/Journal
Chemical
Name: 3-nitrobenzoic acid 4-methoxybenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.3
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIDNEU
Authors/Journal
Chemical
Name: 3-nitrobenzoic acid 4-hydroxybenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.93
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIDNIY
Authors/Journal
Chemical
Name: 3-nitrobenzoic acid 4-methylbenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.35
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIDNUK
Authors/Journal
Chemical
Name: 3-cyanobenzoic acid 4-hydroxybenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.37
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIDPEW
Authors/Journal
Chemical
Name: 3-cyanobenzoic acid 4-chlorobenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.59
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIDPIA
Authors/Journal
Chemical
Name: 4-hydroxybenzoic acid 4-methoxybenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.81
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIDQAT
Authors/Journal
Chemical
Name: 3-hydroxybenzoic acid 4-chlorobenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.02
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIDQEX
Authors/Journal
Chemical
Name: 3-hydroxybenzoic acid 4-nitrobenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.51
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIDQIB
Authors/Journal
Chemical
Name: 3-hydroxybenzoic acid 3,5-dinitrobenzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.62
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIDVAW
Authors/Journal
Authors: Mao-Lin Hu, Dao-Fa He
Chemical
Name: 4,4'-Bipyridine bis((toluene-4-sulfonylamino)acetic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIGNAT
Authors/Journal
Authors: P.Yadav, V.Patel, A.Ballabh
Chemical
Name: 1,3-benzothiazol-2-amine 4-methylbenzoic acid
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.62
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIGNIB
Authors/Journal
Chemical
Name: bis(1,3-benzothiazol-2-amine) hexanedioic acid
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIGNOH
Authors/Journal
Chemical
Name: benzoic acid 1,3-benzothiazol-2-amine
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 6.92
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIGPAV
Authors/Journal
Chemical
Name: bis(1,3-benzothiazol-2-amine) but-2-enedioic acid
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 5.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIGPOJ
Authors/Journal
Chemical
Name: 2,2-dimethylpropanoic acid 1,3-benzothiazol-2-amine
Synonym: 2-aminobenzthiazole 2,2-dimethylpropionic acid
Source:
Melting Point:
Colour: white
Extra Information: 1:1 molar ratio of 2,2-dimethylpropionic acid is mixed with 2-
aminobenzothiazole were mixed with continuous stirring in methanol
Experimental
R-Factor (%): 4.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LINFIX
Authors/Journal
Authors: B.S.Goud, P.K.Reddy, K.Panneerselvam, G.R.Desiraju
Chemical
Formula: C9 H3 F5 O2,C11 H13 N1 O2
Name: 2,3,4,5,6-Pentafluoro-trans-cinnamic acid 4-(N,N-
dimethylamino)-trans-cinnamic acid
Synonym:
Source:
Colour: dark yellow
Extra Information:
Experimental
R-Factor (%): 3.29
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LIPWOW
Authors/Journal
Authors: G.Ferguson, C.Glidewell, R.M.Gregson, E.S.Lavender
Chemical
Formula: 2(C12 H10 O4 S1),C4 H4 N2
Name: bis(4,4'-Sulfonyldiphenol) pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.56
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LIPWUC
Authors/Journal
Chemical
Name: 4,4'-Sulfonyldiphenol 4,4'-bipyridyl
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.92
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LIPXEN
Authors/Journal
Chemical
Name: 4,4'-Sulfonyldiphenol 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.18
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LIPXUD
Authors/Journal
Authors: G.Ferguson, C.Glidewell, E.S.Lavender
Chemical
Name: 4,4'-Biphenol 1,10-phenanthroline
Synonym: PDB Chemical Component code: 4HB
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.34
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LIPYAK
Authors/Journal
Chemical
Name: 4,4'-Thiodiphenol bis(1,10-phenanthroline)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.51
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LIPYEO
Authors/Journal
Chemical
Formula: 2(C12 H10 O4 S1),3(C12 H8 N2)
Name: bis(4,4'-Sulfonyldiphenol) tris(1,10-phenanthroline)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.08
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LIQFAU
Authors/Journal
Authors: S.Gomathi, P.T.Muthiah
Chemical
Name: Hexa-2,4-dienoic acid 4,6-dimethylpyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.88
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIQPUY
Authors/Journal
Authors: G.Bolla, S.Mittapalli, Ashwini Nangia
Chemical
Formula: C17 H14 F3 N3 O2 S1,C4 H7 N1 O1
Name: 4-(5-(4-Methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-
yl)benzenesulfonamide pyrrolidin-2-one
Synonym: Celecoxib-2-pyrrolidinone; PDB Chemical Component code: CEL
Source:
Colour: colorless
Extra Information: Celecoxib is a COX-2 inhibitor
Experimental
R-Factor (%): 4.35
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIQQAF
Authors/Journal
Chemical
yl)benzenesulfonamide azocan-2-one
Synonym: Celecoxib aza-2-cyclo-octanone
Source:
Colour: colorless
Experimental
R-Factor (%): 7.6
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIQQEJ
Authors/Journal
Chemical
yl)benzenesulfonamide azepan-2-one
Synonym: Celecoxib caprolactam
Source:
Colour: colorless
Experimental
R-Factor (%): 5.44
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIQQIN
Authors/Journal
Chemical
yl)benzenesulfonamide piperidin-2-one
Synonym: Celecoxib valerolactam
Source:
Colour: colorless
Experimental
R-Factor (%): 5.77
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIQQIN01
Authors/Journal
Chemical
Source:
Colour: colorless
Experimental
R-Factor (%): 6.18
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIQQIN02
Authors/Journal
Chemical
Source:
Colour: colorless
Experimental
R-Factor (%): 8.5
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIQSUC
Authors/Journal
Authors: G.Dutkiewicz, E.Dutkiewicz, M.Kubicki
Chemical
Name: tris(pyrazine) benzene-1,2,4,5-tetracarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.06
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIRKAY
Authors/Journal
Authors: H.Hopfl, N.Perez Hernandez, S.Rojas Lima, R.Santillan,
N.Farfan
Journal: Heteroat.Chem. , 9, 359, 1998
Chemical
Formula: C16 H13 B1 O4,C6 H6 O2
Name: 2-(Benzoylacetonato)-1,3,2-benzodioxaborol pyrocatechol
Synonym:
Source:
Colour: gold
Extra Information:
Experimental
R-Factor (%): 3.22
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LISQOW
Authors/Journal
Authors: S.V.Gohel, P.Sanphui, Girij Pal Singh, K.Bhat, M.Prakash
Chemical
Name: 5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one 2-
hydroxybenzamide
Synonym: Metaxalone salicylamide
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.65
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LITPUZ
Authors/Journal
Authors: N.G.Spitsyna, S.V.Konovalikhin, A.S.Lobach, G.V.Shilov,
O.A.D'yachenko
1999
Chemical
Formula: C60,2(C8 H8 S3 Se2)
Name: C60Fullerene bis(2-(4-thieno-1,3-dithiolan-5-ylidene)-4,5-
dimethyl-1,3-diselenole)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.96
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LIWHOQ
Authors/Journal
Authors: Ting-Ting Zhang, Hai-Tao Wang, Jiang-Tao Jia, Xiao-Qiang Cui,
Qin Li, Guang-Shan Zhu
Journal: Inorg.Chem.Commun. , 39, 144, 2014
Chemical
Name: 1-(4-(3-(4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-
yl)propoxy)-3-methoxyphenyl)ethanone pyridine-3,5-dicarboxylic acid
Synonym: Iloperidone pyridine-3,5-dicarboxylic acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.49
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIWHUU
Authors/Journal
Authors: Y.Osa, Y.Tokuchi, S.Kawano, K.Takeda, H.Takayanagi
Journal: Anal.Sci. , 13, 875, 1997
Chemical
Formula: C15 H18 O3,H1 N1 O3
Name: alpha-Santonin nitric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LIZVIB
Authors/Journal
Chemical
Name: 4-(3-(pyridin-4-yl)propyl)pyridine 1-oxide bis(4-nitrobenzoic
acid)
Synonym:
Source:
Melting Point:
Colour: yellowish
Extra Information:
Experimental
R-Factor (%): 5.69
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIZVOH
Authors/Journal
Chemical
Name: 4-(3-(pyridin-4-yl)propyl)pyridine 1-oxide bis(4-cyanobenzoic
acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.51
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIZVUN
Authors/Journal
Chemical
Name: 4-(3-(pyridin-4-yl)propyl)pyridine 1-oxide 4-hydroxybenzoic
acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.28
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LIZWIC
Authors/Journal
Chemical
Name: 4,4'-bipyridine 1-oxide 2-cyano-3-(4-hydroxyphenyl)acrylic
acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.38
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LOCQIF
Authors/Journal
Authors: Zhenhua Gu, Bin Wang
Journal: Org.Chem.Front. , 1, 271, 2014
Chemical
Name: tetracyclo[7.7.1.0$2,7!.0$10,15!]heptadeca-2,4,6,10,12,14-
hexaene-8,16-dione 1,1'-binaphthalene-2,2'-diol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.99
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LOCVOO01
Authors/Journal
Authors: S.Horiuchi, R.Kumai, Y.Okimoto, Y.Tokura
Chemical
Name: 5,10-Dihydro-5,10-dimethylphenazine 2,5-dimethyl-7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 7.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LODFAN
Authors/Journal
Authors: E.V.G.Baez
Chemical
Formula: C14 H16 N2 O6,0.75(C6 H6 O2)
Name: Diethyl 2,2'-(1,3-phenylenediimino)bis(oxoacetate) benzene-
1,3-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.87
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LODFIV
Authors/Journal
Authors: E.V.G.Baez
Chemical
Name: Diethyl 2,2'-(1,3-phenylenediimino)bis(oxoacetate) 5-
methylbenzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LODHOD02
Authors/Journal
Chemical
Name: 3,4,5-trihydroxybenzoic acid isonicotinohydrazide
Synonym: 3,4,5-trihydroxybenzoic acid pyridine-4-carbohydrazide
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.62
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LODHOD03
Authors/Journal
Authors: A.S.Kamalakaran
Chemical
Name: 3,4,5-Trihydroxybenzoic acid isonicotinohydrazide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LODKUM
Authors/Journal
Authors: Qi Feng, Mingliang Wang, Chunxiang Xu, Arshad Khan, Xiaojuan
Wu, Jiao Lu, Xiang Wei
Chemical
Name: 1-(5-(9-anthryl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)ethanone
4,4'-propane-2,2-diyldiphenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.59
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LOFDAL
Authors/Journal
Authors: M.S.Fonar', Yu.A.Simonov, E.V.Ganin, A.A.Yavolovskii,
R.Lyuboradzki
Chemical
Name: cis,anti,cis-Dicyclohexano-18-crown-6 bis(2-thiouracil)
Synonym:
Source:
Melting Point: 180 deg.C(dec)
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.44
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LOGBUG
Authors/Journal
Authors: R.Ramarajan, Chinnaraja D., Srinivasan T., Velmurugan D.,
Jayabharathi J.
Chemical
Formula: C15 H12 Cl2 N4 S1,C8 H7 Cl2 N3 S1
Name: 2-(2,4-dichlorobenzylidene)hydrazinecarbothioamide 5-(2,4-
dichlorophenyl)-3-(pyridin-2-yl)-4,5-dihydro-1H-pyrazole-1-carbothioamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.74
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LOHNOM
Authors/Journal
Authors: Yan Tian, Deliang Cui
Chemical
Formula: 2(C10 H7 Br1 O1),C4 H10 N2
Name: bis(6-Bromo-2-naphthol) piperazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.05
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LOJCES
Authors/Journal
Authors: S.Nakatsuji, A.Takai, K.Nishikawa, Y.Morimoto, N.Yasuoka,
K.Suzuki, T.Enoki, H.Anzai
Chemical
Name: 4-(Dimethylamino)-2,2,6,6-tetramethylpiperidinyloxyl radical
2,3-dichloro-5-cyano-6-hydroxybenzo-1,4-quinone
Synonym:
Source:
Melting Point: above 132 deg.C.(dec.)
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 5.43
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LOKJIH
Authors/Journal
Authors: Yanwei Tan, Zongwei Yang, Haojing Wang, Hongzhen Li, Fude Nie,
Yucun Liu, Yanwu Yu
Chemical
(epiminomethanetriylimino)imidazo[4,5-b]pyrazine 1,4-dinitro-1H-imidazole
Synonym: hexanitrohexa-azaisowurtzitane 1,4-dinitro-1H-imidazole
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.63
Temperature: 296
Intensity Meas: 3
Disorder:
Extra Information: absolute configuration; 296.1 K
CCDC Notes:
REFCODE: LOMHUR
Authors/Journal
Authors: Zhao-Lian Yu, Xiao-Dong Li
Chemical
Name: 4,4'-Bipyridine 4-(sulfonylglycine)benzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LOQBAU
Authors/Journal
Authors: E.Corradi, S.V.Meille, M.T.Messina, P.Metrangolo, G.Resnati
Chemical
Name: 4,4'-Bipyridine 1,8-diiodoperfluorooctane
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 10.34
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LOWJUC
Authors/Journal
Authors: M.Goto, Y.Osa, K.Takeda, S.Yamaguchi, H.Takayanagi
Chemical
Name: o-Xylene picric acid
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: z(O6A) is reported as 0.163, we calculate 0.3163
REFCODE: LOWKAJ
Authors/Journal
Authors: M.Goto, Y.Osa, K.Takeda, S.Yamaguchi, H.Takayanagi
Chemical
Formula: 3(C6 H3 N3 O7),C8 H10
Name: p-Xylene tris(picric acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The coordinates of atom C3F appear to be incorrect and have
been calculated
REFCODE: LOXCOS
Authors/Journal
Authors: J.Hernandez-Paredes, A.L.Olvera-Tapia, J.I.Arenas-Garcia,
H.Hopfl, H.Morales-Rojas, D.Herrera-Ruiz, A.I.Gonzaga-Morales, L.Rodriguez-Fragoso
Chemical
Formula: C6 H8 B2 O4,2(C5 H9 N1 O2)
Name: bis(pyrrolidinium-2-carboxylate) 1,4-phenylenediboronic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LOXCUY
Authors/Journal
Authors: J.Hernandez-Paredes, A.L.Olvera-Tapia, J.I.Arenas-Garcia,
H.Hopfl, H.Morales-Rojas, D.Herrera-Ruiz, A.I.Gonzaga-Morales, L.Rodriguez-Fragoso
Chemical
Name: 1,4-phenylenediboronic acid bis(isonicotinamide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LOYRIC
Authors/Journal
Authors: Inayat Ali Khan, Amin Badshah, A.A.Altaf, N.Tahir, N.Haider,
M.A.Nadeem
Chemical
Name: 4,4'-bipyridine bis(isophthalic acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.76
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LOZMIW
Authors/Journal
Authors: J.A.Webb, Pei-Hua Liu, O.L.Malkina, N.S.Goroff
Chemical
Formula: C4 I6,C12 H8 N2
Name: 1,1,2,3,4,4-Hexaiodobuta-1,3-diene 1,7-phenanthroline
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.97
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUDCES
Authors/Journal
Authors: R.G.Baughman
Journal: Conference , , , 1981
Chemical
Formula: C9 H12 N2 O3,H3 N1 O1
Name: 3-Phenyl-3-hydroxaminopropionhydroxamic acid hydroxylamine
Synonym: PDB Chemical Component code: HOA
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 300
Intensity Meas: 3
Disorder:
Extra Information: at 27 deg.C
CCDC Notes:
REFCODE: LUDCOC
Authors/Journal
Authors: R.G.Baughman
Journal: Conference , , , 1981
Chemical
Formula: C9 H11 Cl1 N2 O3,H3 N1 O1
Name: 3-(3-Chlorophenyl)-3-hydroxaminopropionhydroxamic acid
hydroxylamine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 13.1
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUDFUL
Authors/Journal
Authors: V.S.S.Kumar, S.S.Kuduva, G.R.Desiraju
Chemical
Name: 3,5-Dinitrosalicylic acid phenazine
Synonym:
Source:
Melting Point: 471K
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUDFUL01
Authors/Journal
Authors: J.Fabry
Chemical
Name: 2-hydroxy-3,5-dinitrobenzoic acid phenazine
Synonym: 3,5-Dinitrosalicylic acid phenazine
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUDYOZ
Authors/Journal
Authors: M.Hasegawa, K.Takeda, Y.Kuwatani, M.Yoshida, H.Matsuyama,
M.Iyoda
Journal: J.Sulfur Chem. , 30, 301, 2009
Chemical
Formula: C10 H4 N2 O2 S6,C12 F4 N4
Name: 4',5'-Ethylenedioxy-4,5-dithiocyanatotetrathiafulvalene
2,3,5,6-tetrafluoro-7,7,8,8-tetracyano-p-quinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.62
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUJCID
Authors/Journal
Authors: Bao-Ming Ji, Dong-Sheng Deng, Wei-Zhou Wang, Shao-Bin Miao
Chemical
Formula: C20 H14 O2,2(C14 H12 N2)
Name: 1,1'-Binaphthalene-2,2'-diol bis(2,9-dimethyl-1,10-
phenanthroline)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.07
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUJCOJ
Authors/Journal
Chemical
Name: 1,1'-Binaphthalene-2,2'-diol 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.22
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUJCUP
Authors/Journal
Chemical
Name: 1,1'-Binaphthalene-2,2'-diol 4,4'-dimethyl-2,2'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.77
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUJDAW
Authors/Journal
Chemical
Name: bis(5H-Pyrido[3',2':4,5]cyclopenta[1,2-b]pyridin-5-one) 1,1'-
binaphthalene-2,2'-diol
Synonym: 1,1'-Binaphthalene-2,2'-diol bis(4,5-diazafluoren-9-one)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.54
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUKMIN
Authors/Journal
Authors: R.Liantonio, T.A.Logothetis, M.T.Messina, P.Metrangolo, A.De
Santis, T.Pilati, G.Resnati
Journal: Collect.Czech.Chem.Commun. , 67, 1373, 2002
Chemical
Formula: C15 H11 N3,0.5(C6 F4 I2)
Name: bis(2,6-bis(2-Pyridyl)pyridine) 1,4-bis(iodo)-2,3,5,6-
tetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.56
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUKXUL
Authors/Journal
Authors: M.Ban, P.Bombicz, J.Madarasz
Chemical
Name: Phthalic acid 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Synonym: theophylline phthalic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LULRAO
Authors/Journal
Authors: U.Likhitha, B.Narayana, B.K.Sarojini, S.Madan Kumar, A.G.Lobo,
T.Karthick
Chemical
Name: 1-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-
2,4(1H,3H)-dione 2,4,6-trinitrophenol
Synonym: zidovudine picric acid; 3'-azido-2',3'-dideoxythymidine picric
acid; AZT picric acid
Source:
Melting Point:
Colour:
Extra Information: AZT is a reverse transcriptase inhibitor used to treat HIV
Experimental
R-Factor (%): 4.39
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LULROC
Authors/Journal
Chemical
Name: bis([2-(2,6-dichloroanilino)phenyl]acetic acid) 4,4'-(propane-
1,3-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.96
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUMFIK
Authors/Journal
Authors: Yu-heng Ma, Shu-wang Ge, Wei Wang, Bai-wang Sun
Chemical
Name: terephthalic acid bis(methyl eburnamenine-14-carboxylate)
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 7.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUMNPO20
Authors/Journal
Authors: J.L.Wells, B.L.Trus, R.M.Johnston, R.E.Marsh, C.J.Fritchie
Junior
1127, 1974
Chemical
Name: Lumiflavin bis(naphthalene-2,3-diol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LUMYIB
Authors/Journal
Authors: B.T.Holmes, C.W.Padgett, M.Krawiec, W.T.Pennington
Chemical
Formula: 2(C18 H15 O1 P1),C15 H17 N1 O2
Name: bis(Triphenylphosphine oxide) 2,6-bis(3-methylbutyn-3-
ol)pyridine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUMYOH
Authors/Journal
Authors: B.T.Holmes, C.W.Padgett, M.Krawiec, W.T.Pennington
Chemical
Formula: C18 H15 O1 P1,C10 H10 Br1 N1 O1
Name: Triphenyphosphine oxide 2-bromo-6-(3-methylbutyn-3-ol)pyridine
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUNQIU
Authors/Journal
Authors: S.L.Fomulu, M.S.Hendi, R.E.Davis, K.A.Wheeler
Chemical
Formula: C15 H14 Br1 N1 O1,C15 H14 Cl1 N1 O1
Name: (S)-N-(2-Bromobenzoyl)-alpha-methylbenzylamine (R)-N-(2-
chlorobenzoyl)-alpha-methylbenzylamine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.98
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUNRER
Authors/Journal
Authors: S.Fomulu, M.S.Hendi, R.E.Davis, K.A.Wheeler
Chemical
Formula: C9 H7 Cl3 O3,C9 H8 Cl3 N1 O2
Name: (S)-2-(2,4,5-Trichloroanilino)propionic acid (R)-2-(2,4,5-
trichlorophenoxy)propionic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LURGUC
Authors/Journal
Authors: D.Vermeulen, L.Y.Zhu, K.P.Goetz, Peng Hu, Hui Jiang, C.S.Day,
O.D.Jurchescu, V.Coropceanu, C.Kloc, L.E.McNeil
Chemical
Formula: 2(C20 H12),C12 H4 N4
Name: bis(perylene) 7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUTDUR
Authors/Journal
Authors: J.D.Lee, S.C.Wallwork
Chemical
Name: 2,6-Lutidine urea
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: LUTGUD
Authors/Journal
Authors: G.Berionni, P.-A.Bertelle, J.Marrot, R.Goumont
Chemical
Name: 4-Nitro-1,3,6,8-tetrahydro[1,2,5]oxadiazolo[3,4-e]
[2,1,3]benzoxadiazole 1,6-dioxide anthracene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.73
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUTRID02
Authors/Journal
Authors: O.Kataeva, M.Khrizanforov, Y.Budnikova, D.Islamov, T.Burganov,
A.Vandyukov, K.Lyssenko, B.Mahns, M.Nohr, S.Hampel, M.Knupfer
Chemical
Formula: 2(C24 H12),C12 F4 N4
diylidene)dimalononitrile bis(coronene)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 9.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUYHEV
Authors/Journal
Authors: U.Iqbal, M.Iqbal Choudhary, S.Yousuf
Chemical
Name: 17-hydroxyestr-4-en-3-one 1H-1,2,4-triazol-5-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: tested for anticancer activity
Experimental
R-Factor (%): 4.35
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LUZRAZ01
Authors/Journal
Authors: B.Kolodziej, P.M.Dominiak, A.Koscielecka, W.Schilf, E.Grech,
K.Wozniak
Chemical
Name: bis(tris(2-((3-Formyl-5-methylsalicylidene)amino)ethyl)amine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.44
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAAZNB
Authors/Journal
Chemical
Name: 2,4,6-Tri(dimethylamino)-1,3,5-triazine-s-trinitrobenzene
Synonym: Altretamine 1,3,5-trinitrobenzene
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MABMOU
Authors/Journal
Authors: K.Suresh, M.K.Chaitanya Mannava, Ashwini Nangia
Chemical
Name: Nitazoxanide-p-aminobenzoic acid
Synonym:
Source:
Colour: yellow
Extra Information: nitazoxanide has antiparasitic activity. It was investigated
in 2020 as a potential candidate to target COVID-19 (coronavirus)
Experimental
R-Factor (%): 4.78
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MABMUA
Authors/Journal
Authors: K.Suresh, M.K.Chaitanya Mannava, Ashwini Nangia
Chemical
Name: Nitazoxanide-p-aminosalicylic acid
Synonym:
Source:
Colour: yellow
Extra Information: nitazoxanide has antiparasitic activity. It was investigated
in 2020 as a potential candidate to target COVID-19 (coronavirus)
Experimental
R-Factor (%): 4.87
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MABROA
Authors/Journal
Authors: K.Samanta, J.Samanta, R.Natarajan
Chemical
Formula: C21 H15 N3 O3,2.5(C10 H8 N2)
Name: 4,4',4''-(1,3,5-triazine-2,4,6-triyl)triphenol 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.61
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MABVUK
Authors/Journal
Authors: K.Samanta, J.Samanta, R.Natarajan
Chemical
Formula: C21 H15 N3 O3,C5 H4 I1 N1
Name: 4,4',4''-(1,3,5-triazine-2,4,6-triyl)triphenol 4-iodopyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.71
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MACJEG
Authors/Journal
Authors: K.A.Al-Farhan
Chemical
Name: Triphenylphosphine oxide 3-chlorobenzoic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MADGIK
Authors/Journal
Authors: G.Bolla, A.Nangia
Chemical
Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide bis(piperidin-
2-one)
Synonym: acetazolamide bis(valerolactam)
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.26
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MADSAO
Authors/Journal
Chemical
Name: N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide pyridin-2(1H)-
one
Synonym: Acetazolamide 2-pyridone
Source:
Colour: colorless
Extra Information: acetazolamide is an antiepileptic, diuretic drug for
respiratory diseases
Experimental
R-Factor (%): 3.81
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MADSES
Authors/Journal
Chemical
Name: N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide bis(pyridin-
2(1H)-one)
Synonym: Acetazolamide bis(2-pyridone)
Source:
Colour: colorless
Experimental
R-Factor (%): 6.47
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MADSUI
Authors/Journal
Chemical
Name: N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide 6-
methylpyridin-2(1H)-one
Synonym: Acetazolamide 6-methyl-2-pyridone
Source:
Colour: colorless
Experimental
R-Factor (%): 3.97
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MADTAP
Authors/Journal
Chemical
Name: N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide nicotinamide
Synonym: Acetazolamide nicotinamide
Source:
Colour: colorless
Experimental
R-Factor (%): 6.26
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAGZIE
Authors/Journal
Authors: Rong-bin Huang, Nan-feng Zheng, Su-yuan Xie, Shun-liu Deng,
Zhao-xiong Xie, La-sheng Long, Lan-sun Zheng
Chemical
Formula: C10 H8 N2,C12 Cl8
Name: 2,2'-bipyridine perchloroacenaphthalene
Synonym:
Source:
Melting Point:
Colour: slightly red
Extra Information:
Experimental
R-Factor (%): 6.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAHHOW
Authors/Journal
Authors: Huu-Tri Huynh, O.Jeannin, E.Aubert, E.Espinosa, M.Fourmigue
Chemical
Formula: 2(C12 H12 N2 Se2),C10 H8 N2
Name: bis(anti-(1,2-phenylene)bis(ethane-1,1-diyl)
bis(selenocyanate)) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information: anti
Experimental
R-Factor (%): 3.67
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAHKAJ
Authors/Journal
Authors: D.Braga, F.Grepioni, L.Maini, P.P.Mazzeo, K.Rubini
Journal: Thermochim.Acta , 507, 1, 2010
Chemical
Name: bis(4-hydroxy-3-methoxybenzaldehyde) phenazine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAHKAJ01
Authors/Journal
Authors: Tu Lee, Hsin-Rong Chen, Hong Yu Lin, Hung Lin Lee
Chemical
Name: phenazine bis(4-hydroxy-3-methoxybenzaldehyde)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: No temperature of study is reported
REFCODE: MAHWUO
Authors/Journal
Authors: H.Ishida, T.Fukunaga
Chemical
Name: 3-Cyanopyridine 2-chloro-4-nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAJYEC
Authors/Journal
Authors: S.Muller, M.C.Afraz, R.de Gelder, G.J.A.Ariaans, B.Kaptein,
Q.B.Broxterman, A.Bruggink
Chemical
Name: (4R,5R)-4,5-bis(di-4-methylphenylhydroxymethyl)-2,2-dimethyl-
1,3-dioxolane (S)-1-phenylethanamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MALTPO
Authors/Journal
Authors: J.P.Declercq, G.Germain, J.P.Putzeys, S.Rona, M.van Meerssche
Chemical
Name: Dimethylmalonic acid-bis(triphenylphosphine oxide)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MAMPUM01
Authors/Journal
Authors: S.Horiuchi, R.Kumai, Y.Tokura
Chemical
Name: 2,5-Dichloro-3,6-dihydroxy-1,4-benzoquinone phenazine
Synonym: Chloranilic acid phenazine
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAQYAF
Authors/Journal
Authors: Hai-Yan Peng, Chi-Keung Lam, T.C.W.Mak, Zongwei Cai, Wai-Tang
Ma, Yu-Xue Li, H.N.C.Wong
Chemical
Name: (S,S)-1,8,9,16-Tetrahydroxytetraphenylene 4,4'-bipyridyl
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for racemate see [RAPXAI]
Experimental
R-Factor (%): 4.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAQYEJ
Authors/Journal
Chemical
Name: (+-)-1,8,9,16-Tetrahydroxytetraphenylene 5,5'-bipyrimidine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAQZEK
Authors/Journal
Chemical
Name: (+-)-1,8,9,16-Tetrahydroxytetraphenylene pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAQZEK01
Authors/Journal
Authors: R.E.Marsh, D.A.Clemente
Chemical
Name: (+-)-1,8,9,16-Tetrahydroxytetraphenylene pyrazine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MASWAG
Authors/Journal
Authors: C.Perkins, S.Libri, H.Adams, L.Brammer
Chemical
Formula: C2 I2,C4 H4 N2
Name: Di-iodoacetylene pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAVGEY
Authors/Journal
Authors: JuliaBruno-Colmenarez, ReinaldoAtencio, MarinelQuintero,
LuisSeijas, RafaelAlmeida, LuisRincon
Chemical
Name: bis(2-hydroxybenzoic acid) 1H,1'H-2,2'-biimidazole
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAYGAV
Authors/Journal
Authors: A.Sattler, L.Seyfarth, J.Senker, W.Schnick
Chemical
Formula: C6 H6 N10,H3 O4 P1
Name: 2,6,10-Triamino-s-heptazine phosphoric acid
Synonym: Melem phosphoric acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MAZYUI
Authors/Journal
Authors: Miao Du, Yan-Ping You, Zhi-Hui Zhang
Chemical
Name: 4,4'-Biphenyldicarboxylic acid 2,5-bis(4-pyridyl)-1,3,4-
oxadiazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MBZDCN
Authors/Journal
2640, 1973
Chemical
Name: N,N,N',N'-Tetramethylbenzidine-chloranil complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MDTTCQ
Authors/Journal
Authors: T.J.Kistenmacher, T.E.Phillips, D.O.Cowan, J.P.Ferraris,
A.N.Bloch, T.O.Poehler
539, 1976
Chemical
Formula: 1.3(C10 H12 S4),2(C12 H4 N4)
Name: 4,4',5,5'-Tetramethyl-cdelta$2,2'!-bis-1,3-dithiole-7,7,8,8-
tetracyanoquinodimethane complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 12.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MEASPO
Authors/Journal
Authors: D.H.Brown, A.F.Cameron, R.J.Cross, M.McLaren
Chemical
Formula: C13 H13 As1 S1,C6 H18 N3 O1 P1
Name: Methyldiphenylarsine sulfide tris(dimethylamino)-phosphine
oxide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: fw given in paper as 485,should be 455.44,dm=1.39,dx=1.40,
dcalc=1.31
REFCODE: MEBRAN
Authors/Journal
Authors: Miao Du, Zhi-Hui Zhang, Xiao-Jun Zhao
Chemical
Name: 2,5-bis(4-Pyridyl)-1,3,4-oxadiazole cis-cyclohexane-1,4-
dicarboxylic acid
Synonym:
Source:
Melting Point: 172.9-175.3 deg.C
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MEBRER
Authors/Journal
Chemical
Name: bis(2,5-bis(4-Pyridyl)-1,3,4-oxadiazole) hydroquinone
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.53
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MEBRIV
Authors/Journal
Chemical
Name: 2,5-bis(4-Pyridyl)-1,3,4-oxadiazole barbituric acid
Synonym:
Source:
Melting Point: above 300 deg.C
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MEBRUH
Authors/Journal
Chemical
Name: 2,5-bis(4-Pyridyl)-1,3,4-oxadiazole citric acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MECPIT
Authors/Journal
Authors: V.A.Alfonsov, G.A.Bakaleynik, A.T.Gubaidullin, V.E.Kataev,
G.I.Kovyljaeva, A.I.Konovalov, I.A.Litvinov, I.Ju.Strobykina, O.V.Andreeva,
M.G.Korochkina
Journal: Mendeleev Commun. , , 227, 1999
Chemical
Name: bis(Isosteviol) aniline
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MECXAW
Authors/Journal
Authors: P.-E.Alexandre, A.Schwenger, Wolfgang Frey, C.Richert
Chemical
Name: 1,3,5,7-tetrakis(2,4-diethoxyphenyl)adamantane 1,4-dioxane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.4
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MEFJAI
Authors/Journal
Authors: T.Smolka, R.Boese, R.Sustmann
Chemical
Formula: 2(C12 H10 O2),3(C12 H8 N2)
Name: bis(2,2'-Dihydroxybiphenyl) tris(phenazine)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: not 122361 as given in paper
REFCODE: MEHFOV
Authors/Journal
Authors: Yong-Tao Wang, Gui-Mei Tang, Xu-Yang Qin
Chemical
Name: 2,5-bis(4-Pyridyl)-1,3,4-oxadiazole pyridine-2,3-dicarboxylic
acid
Synonym: PDB Chemical Component code: NTM
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MEHRID
Authors/Journal
Chemical
Name: 2,7-bis[3-(1H-imidazol-1-yl)propyl]benzo[lmn]
[3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone bis(benzene-1,3-diol)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.37
Temperature: 296
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MEHSAW
Authors/Journal
Chemical
Name: 2,7-bis[3-(1H-imidazol-1-yl)propyl]benzo[lmn]
[3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone bis(3-[(hydroxyimino)methyl]benzene-1,2-
diol)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 7.15
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MEJRAV
Authors/Journal
Authors: Jianwei Bian, M.Van Wingerden, J.M.Ready
Chemical
Formula: 0.5(C26 H45 I1 Si1),0.5(C25 H43 I1 O1 Si1)
Name: hemikis(2,2-di-t-butyl-8-((2E)-3-iodo-2-methylprop-2-en-1-yl)-
7-(1-methylethylidene)decahydro-2H-pentaleno(1,6a-c)siline) hemikis(1E)-1-(2,2-di-
t-butyl-8-((2E)-3-iodo-2-methylprop-2-en-1-yl)decahydro-7H-penatleno(1,6a-c)silin-
7-ylidene)ethanol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: Compound 17 is described in the paper as being 2,2-di-t-butyl-
8- ((2E)-3-iodo-2-methylprop-2-en-1-yl)-7-(1-methylethylidene)tetrahydro- 5H-
cyclopenta(3,4)furo(2,3-d)(1,3,2)dioxasiline, however, the crystal structure has
been modelled as an equimixture of (2,2-di-t-butyl-8-((2E)- 3-iodo-2-methylprop-2-
en-1-yl)-7-(1-methylethylidene)decahydro-2H- pentaleno(1,6a-c)siline) and (1E)-1-
(2,2-di-t-butyl-8-((2E)-3-iodo-2- methylprop-2-en-1-yl)decahydro-7H-penatleno(1,6a-
c)silin-7- ylidene)ethanol
REFCODE: MEKWOO
Authors/Journal
Chemical
Name: 1,2-bis(4-Pyridyl)ethane 1,4-di-iodotetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MEKWUU
Authors/Journal
Chemical
Name: 1,2-bis(4-Pyridyl)ethane p-resorcinol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.04
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MELGAO
Authors/Journal
Authors: M.Petroselli, S.Mosca, J.Marti-Rujas, D.Comelli, M.Cametti
Chemical
Formula: C14 H11 B1 O2,C10 H4 Cl2 O2
Name: anthracen-9-ylboronic acid 2,3-dichloronaphthalene-1,4-dione
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MELGES
Authors/Journal
Chemical
Formula: C14 H10 B1 Br1 O2,C10 H6 O2
Name: (10-bromoanthracen-9-yl)boronic acid naphthalene-1,4-dione
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.39
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MELGIW
Authors/Journal
Chemical
Formula: C14 H11 B1 O2,C10 H6 O2
Name: anthracen-9-ylboronic acid naphthalene-1,4-dione
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MELGOC
Authors/Journal
Chemical
Formula: C14 H10 B1 Br1 O2,C14 H8 O2
Name: (10-bromoanthracen-9-yl)boronic acid anthracene-9,10-dione
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.81
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MELGUI
Authors/Journal
Chemical
Formula: C14 H10 B1 Br1 O2,C10 H4 Cl2 O2
Name: (10-bromoanthracen-9-yl)boronic acid 2,3-dichloronaphthalene-
1,4-dione
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 10.31
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MEMTON
Authors/Journal
Authors: V.R.Thalladi, T.Smolka, A.Gehrke, R.Boese, R.Sustmann
Chemical
Name: tris(Phenazine) 5,10-dihydrophenazine
Synonym:
Source:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 6.29
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MEPMAY
Authors/Journal
Authors: Xue-Min Hao, Shuai Zhao, Hao Wang, Yi-Bo Wu, Dan Yang, Xiao-
Feng Zhang, Zi-Li Xu
Chemical
Name: tetra-aqua-bis[6-oxy-1,3-dimethyl-1,3-dihydro-2H-purin-2-one]-
calcium bis(1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
Synonym: tetra-aqua-bis[6-oxy-1,3-dimethyl-1,3-dihydro-2H-purin-2-one]-
calcium bis(theophylline)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MERDAO
Authors/Journal
Authors: R.Kempe, E.Kessenich, A.Schulz
Chemical
Formula: C21 H24 N1 P1 Si1,C1 I1 N1
Name: Trimethylsilylaminotriphenylphosphonium iodocyanide
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MESWEP
Authors/Journal
Authors: T.Hill, D.C.Levendis, A.Lemmerer
Chemical
Name: 1-(naphthalen-2-yl)ethan-1-one 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MESXOA05
Authors/Journal
Authors: K.M.Hutchins, D.K.Unruh, F.A.Verdu, R.H.Groeneman
Chemical
Name: benzene-1,3-diol 4,4'-(ethyne-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.46
Temperature: 289
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: METJED
Authors/Journal
Authors: Bin Han, Linpeng Zhu, Xi Wang, Ming Bai, Jianzhuang Jiang
Chemical
Formula: C68 H78 O10,1.5(C6 H8 N2)
Name: 2-(diphenylmethylidene)-4,9,14,19,24,26,28,30,32,34-
decaethoxyhexacyclo[21.2.2.2$3,6!.2$8,11!.2$13,16!.2$18,21!]pentatriaconta-
1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene sesqui-hexanedinitrile
Synonym: (diphenylmethylidene)pillar[5]arene hexanedinitrile
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MEWFID
Authors/Journal
Authors: H.Nazir, M.Yildiz, H.Yilmaz, M.N.Tahir, D.Ulku
Chemical
Name: 1-(N-(2-Pyridyl)iminomethyl)-2-hydroxynaphthalene 1-(N-(2-
pyridyl)aminomethylidene)-2(1H)-naphthalenone
Synonym:
Source:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The space group is P21/c, not P21/n
REFCODE: MEWKOR
Authors/Journal
Authors: Limin Dang, Saijin Huang, Aiwu Yin
Chemical
Name: 4,4'-(propane-1,3-diyl)dipyridine 1,2,4,5-tetrafluoro-3,6-di-
iodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.24
Temperature: 287
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MEXBOI
Authors/Journal
Authors: G.Cavallo, G.Marras, P.Metrangolo, T.Pilati, G.Terraneo
Chemical
Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-1,8-
diiodooctane 4,4'-buta-1,3-diyne-1,4-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MICFEJ
Authors/Journal
Authors: Xuejun Yuan, Jiguo Li, Yunqi Tian, Gene-Hsiang Lee, Xie-Ming
Peng, Rongguang Zhu, Xiaozeng You
Chemical
Name: (S)-(+)-6-Methoxy-alpha-methyl-2-naphthaleneacetic acid N-
octyl-D-(-)-glucamine
Synonym: (S)-(+)-Naproxen N-octyl-D-(-)-glucamine
Source:
Colour: colorless
Extra Information: non-steroidal antiinflammatory and analgesic drug
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MICGAJ
Authors/Journal
Authors: Chao Chen, Kai Zhang, Yuexin Sun, Shuguang Xiang, Yanling
Geng, Kang Liu, Lei Wang
Chemical
Name: 3,4,5-trimethoxybenzoic acid 6-methyl-1,3,5-triazine-2,4-
diamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIDDEL
Authors/Journal
Authors: qichun zhang
Chemical
diylidene)dipropanedinitrile pyrene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIGTEC01
Authors/Journal
Authors: H.Kobayashi, Biao Zhou, Yuji Imai, D.Yokota, A.Kobayashi
Journal: Chem.Lett. , 42, 989, 2013
Chemical
Name: 10H-Phenothiazine 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 7.73
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIJTEG
Authors/Journal
Authors: F.Tellez, R.Ramirez, R.Vieto, G.Suarez, R.Colorado, A.Flores,
R.Contrreras
Chemical
Name: 2-Aminophenol N-(1,3-benzoxazol-2(3H)-ylidene)-5-chloro-1,3-
benzoxazol-2-amine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.32
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIPVOW
Authors/Journal
Authors: Wei Li, Jie-Peng Zhang, Ming-Liang Tong, Xiao-Ming Chen
Chemical
Name: bis(Hexamethylenetetraamine) m-benzenedicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.53
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIPWEN
Authors/Journal
Authors: G.Smith, J.M.White
Chemical
Name: Creatinine pyrazine-2,3-dicarboxylic acid
Synonym: 2-imino-1-methyl-1,5-dihydro-4H-imidazol-4-one pyrazine-2,3-
dicarboxylic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIQQEL
Authors/Journal
Authors: Zhang xiuxiu
Chemical
Name: benzene-1,3-diol 1,4,7,10-tetraazacyclododecane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.29
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIQVIT
Authors/Journal
Authors: J.Stojakovic, A.M.Whitis, L.R.MacGillivray
Chemical
Name: 11,12-Dihydroindolo[2,3-a]carbazole 4,4',4'',4'''-cyclobutane-
1,2,3,4-tetrayltetrapyridine
Synonym:
Source:
Melting Point:
Colour: orange yellow
Extra Information:
Experimental
R-Factor (%): 4.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIRJEE
Authors/Journal
Authors: V.Chandrasekhar, R.S.Narayanan
Journal: Indian J.Chem.,Sect.A:Inorg.,Bio-inorg.,Phys.,Theor.Anal.Chem.
, 52, 1066, 2013
Chemical
Name: 1,1'-Buta-1,3-diyne-1,4-diyldicyclohexanol 1,4-
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MITJUW
Authors/Journal
Authors: Xiao Qing Yan, Hui Wang, Wei Di Chen, Wei Jun Jin
Chemical
Formula: 2(C10 H17 N1),I3
Name: amantadine triiodide
Synonym: PDB Chemical Component code: 308
Source:
Melting Point:
Colour: brown red
Extra Information:
Experimental
R-Factor (%): 3.39
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIUDAP10
Authors/Journal
Authors: T.D.Sakore, H.M.Sobell, F.Mazza, G.Kartha
Chemical
Formula: 2(C5 H5 I1 N2 O2),C7 H10 N6
Name: bis(1-Methyl-5-iodouracil)-9-ethyl-2,6-diaminopurine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MIWNEO
Authors/Journal
Authors: Xinchen Chi, Lanqing Wang, Shouwen Jin, Daqi Wang, Ying Zhao,
Zhaohui Tao
Chemical
Name: 3,5-dinitrobenzoic acid N-(5-chloro-2-hydroxyphenyl)acetamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.49
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIWNUE
Authors/Journal
Authors: S.Mondal, G.Mugesh
Chemical
Formula: C11 H12 N2 Se1,2(C4 H4 I1 N3 O1)
Name: bis(4-amino-5-iodopyrimidin-2(1H)-one) 1-benzyl-3-methyl-1,3-
dihydro-2H-imidazole-2-selone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.4
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIYKOU
Authors/Journal
Authors: R.Liantonio, P.Metrangolo, T.Pilati, G.Resnati
Chemical
Name: 4,4'-Bipyridine 1,2-diiodo-3,4,5,6-tetrafluorobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.85
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIZMIT
Authors/Journal
Authors: A.Sankar, S.Ambalatharasu, G.Peramaiyan, G.Chakkaravarthi,
R.Kanagadurai
Chemical
Name: 2-Carboxypyridinium 4-nitrophenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIZMIT01
Authors/Journal
Authors: A.Sankar, S.Ambalatharasu, G.Peramaiyan, R.Kanagadurai
Chemical
Name: 2-carboxylatopyridinium 4-nitrophenol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MIZMUE
Authors/Journal
Authors: Fang-fang Jian, Pu-su Zhao, Yu-feng Li, Xian Wang, Qing Yu
Journal: Int.J.Quantum Chem. , 108, 521, 2008
Chemical
Name: Benzimidazole malonic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.45
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOBLIY
Authors/Journal
Authors: H.Kaku, S.Takaoka, T.Tsunoda
Chemical
Name: (R,R)-(-)-trans-2,3-bis(hydroxydiphenylmethyl)-1,4-
dioxaspiro(5.4)decane (R)-2-benzylcyclohexanone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOBVUX
Authors/Journal
Authors: R.Bhowal, S.Biswas, D.P.A.Saseendran, A.L.Koner, D.Chopra
Chemical
Name: benzo[c]cinnoline 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Colour: colorless
Experimental
R-Factor (%): 4.29
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOCFOC
Authors/Journal
Authors: R.Bhowal, S.Biswas, D.P.A.Saseendran, A.L.Koner, D.Chopra
Chemical
Name: bis(benzo[c]cinnoline) 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 9.09
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOCNEY
Authors/Journal
Authors: A.V.Malkov, P.Ramirez-Lopez, L.Biedermannova, L.Rulisek,
L.Dufkova, M.Kotora, Fujiang Zhu, P.Kocovsky
Chemical
Name: (R)-(+)-2,2'-Dihydroxy-1,1'-binaphthyl (R)-(-)-1-(2-methyl-1-
naphthyl)-isoquinoline-N-oxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MODPAX
Authors/Journal
Authors: Yun-Yun Wang, Rui-Ding Hu, Yan-Jun Wang
Chemical
Name: rac-7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid 2-
aminobenzothiazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.56
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOFFUI
Authors/Journal
Authors: R.Liantonio, S.Luzzati, P.Metrangolo, T.Pilati, G.Resnati
Chemical
Name: N,N,N',N'-Tetramethyl-p-phenylenediamine 1,4-di-
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.11
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOFGAP
Authors/Journal
Authors: R.Liantonio, S.Luzzati, P.Metrangolo, T.Pilati, G.Resnati
Chemical
Name: bis(4-Dimethylaminophenyl)methane 1,4-di-iodo-
tetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOFXUB
Authors/Journal
Authors: Baoming Ji, Shaobin Miao, Dongsheng Deng
Chemical
Name: 2,2'-Dihydroxy-1,1'-binaphthyl 1,10-phenanthroline-5,6-dione
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.69
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOFYAI
Authors/Journal
Authors: Baoming Ji, Shaobin Miao, Dongsheng Deng
Chemical
Name: 2,2'-Dihydroxy-1,1'-binaphthyl bis(acridine)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.48
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOGZEP
Authors/Journal
Authors: S.R.Jaggavarapu
Chemical
Formula: 2(C18 H15 Cl1 N2 O2 S1),C4 H6 O4
Name: bis(etoricoxib) succinic acid
Synonym: succinic acid bis(5-chloro-6'-methyl-3-(4-
(methylsulfonyl)phenyl)-2,3'-bipyridine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.03
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOKQUZ
Authors/Journal
Authors: Qun-Zeng Huang, Heng-Zhen Shi
Chemical
Name: 2,2'-(1,2-ethenediyl)dipyridine 2-phenylsuccinic acid
Synonym: PDB Chemical Component code: FSL
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.69
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOMVIV
Authors/Journal
Authors: C.Surendra Dilip, S.Gowri
Chemical
Name: pyridine-2-carboxylic acid hydrobromide
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 6.57
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOMVIV01
Authors/Journal
Authors: S.Gowri, T.Uma Devi, S.Priya, C.Surendra Dilip,
S.Selvanayagam, N.Lawrence
Chemical
Name: Pyridine-2-carboxylic acid hydrobromide
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 6.23
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOMVUG
Authors/Journal
Authors: G.S.Papaefstathiou, T.Friscic, L.R.MacGillivray
Journal: Transactions of the ACA , 39, 110, 2004
Chemical
Name: 1,2-benzenediol trans-4,4'-(1,2-ethenediyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOPYAR
Authors/Journal
Authors: K.Sivashankar
Journal: Proc.Indian Acad.Sci.,Chem.Sci. , 112, 607, 2000
Chemical
Name: Cyanuric acid pyridine
Synonym: Pyridine 2,4,6-trioxo-1,3,5-triazine
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MORVEV
Authors/Journal
Authors: B.Sarma, L.S.Reddy, A.Nangia
Chemical
Formula: 1.5(C12 H8 N2),C6 H6 O3
Name: sesqui(1,3,5-benzenetriol) phenazine
Synonym: sesqui(phloroglucinol) phenazine
Source:
Colour: dark yellow
Extra Information:
Experimental
R-Factor (%): 4.67
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOTRES
Authors/Journal
Authors: Jian Chu Zhong, M.Maekawa, T.Kuroda-Sowa, Y.Suenaga, T.Ohta,
M.Munakata
Chemical
Name: 9,10-Benzophenanthrene 2,3,5,6-tetrafluoro-1,4-benzoquinone
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOVDAF
Authors/Journal
Authors: Yue Yuan, Duanxiu Li, Chenguang Wang, Shaodong Chen, Minmin
Kong, Zongwu Deng, Changquan Calvin Sun, Hailu Zhang
Chemical
Name: 4-amino-N-(5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)benzene-1-
sulfonamide 1H-1,2-benzothiazole-1,1,3(2H)-trione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.14
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOVTOH01
Authors/Journal
Authors: C.OMalley, A.Erxleben, S.Kellehan, P.McArdle
Chemical
Name: bis(benzoic acid) pyridine-4-carboxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.86
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOWDUZ10
Authors/Journal
Authors: V.G.Saraswatula, B.K.Saha
Chemical
Name: 4,4',4'',4'''-cyclohexane-1,1,4,4-tetrayltetraphenol bis(o-
cresol)
Synonym: 1,1,4,4-tetrakis(4-hydroxyphenyl)cyclohexane bis(2-
methylphenol)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.52
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOXRUN
Authors/Journal
Authors: Miao Du, Zhi-Hui Zhang, Wei Guo, Xiao-Juan Fu
Chemical
Name: 4,4'-Bipyridine 4,4'-methylenebis(3-hydroxy-2-naphthoic acid)
Synonym: 4,4'-Bipyridine pamoic acid
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOXVIF03
Authors/Journal
Authors: E.M.Horstman, S.Goyal, A.Pawate, G.Lee, G.G.Z.Zhang, Yuchuan
Gong, P.J.A.Kenis
Chemical
Name: 5H-dibenzo[b,f]azepine-5-carboxamide 4-hydroxybenzoic acid
Synonym: carbamazepine 4-hydroxybenzoic acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MOZCUA01
Authors/Journal
Authors: A.K.Mahapatra, P.Sahoo, H.K.Fun, S.Goswami
Journal: Asian J.Chem. , 20, 1761, 2008
Chemical
Name: 4-Hydroxybenzoic acid bis(1,3,7-trimethyl-3,7-dihydro-1H-
purine-2,6-dione)
Synonym: bis(Caffeine) 4-hydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MPBOPA
Authors/Journal
Authors: I.L.Karle, J.Karle
Chemical
Name: (+)-m-Methoxyphenoxypropionic acid-(-)-m-bromophenoxypropionic
acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information: for stereoisomer see [NOJLII]
Experimental
R-Factor (%): 10.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MPIBTZ
Authors/Journal
Authors: J.L.Flippen
Journal: Phosphorus and Sulfur , 3, 185, 1977
Chemical
Formula: C10 H11 N3 S2,C10 H11 N3 S2
Name: 5-(Dimethylamino)-3-(phenylimino)-1,2,4-dithiazole 2-
(dimethylcarboxamido-imino)benzothiazole
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MPPYRL
Authors/Journal
Authors: L.Aeppli, K.Bernauer, F.Schneider, K.Strub, W.E.Oberhansli,
K.-H.Pfoertner
Chemical
Formula: C17 H20 N2,2(H1 Br1)
Name: (3S,5R)-2,2-Dimethyl-5-phenyl-3-(4-pyridyl)-pyrrolidone
dihydrobromide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MPPZPO
Authors/Journal
Authors: A.I.Gusev, S.N.Gurkova, V.K.Bel'skii, V.E.Zavodnik,
L.A.Yagodina
Chemical
Name: 5-Methyl-10-phenyl-10-oxo-5,10-dihydro-phenophosphazine phenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x(H4) should be positive
REFCODE: MPTURO
Authors/Journal
Authors: K.Kato
2653, 1972
Chemical
Name: S-(2-Methoxyphenyl)-N-(2,6-dimethylphenyl)-dithiourethane S-
oxide S-(2-methoxyphenyl)-N-(2,6-dimethylphenyl)-dithiourethane sulfenic acid solid
solution
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MSNROD
Authors/Journal
Authors: M.Bois d'Enghien-Peteau, J.Meunier-Piret, M.van Meerssche
Journal: J.Chim.Phys.Phys.-Chim.Biol. , 65, 1221, 1968
Chemical
Name: 5-(2-Methylmercapto-4-methyl-4,5-dihydro-1',3',4'-thiadiazol-
5-ylidene)-3-ethyl-rhodanine-iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 18.8
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes: Y COORDINATE OF C6 SHOULD BE 0.05439 NOT 0.5439
REFCODE: MTBPNP
Authors/Journal
Authors: T.Ichikawa, K.Aoki, Y.Iitaka
2336, 1978
Chemical
Name: 2-Methylthio-6-benzamidopurine p-nitrophenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.0
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MTHMAD
Authors/Journal
Authors: K.Hoogsteen
Chemical
Name: 9-Methyladenine-1-methylthymine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.1
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MTZICA
Authors/Journal
Authors: H.C.Freeman, N.D.Hutchinson
2051, 1979
Chemical
Name: 5-(3,3-Dimethyl-1-triazenyl)-imidazole-4-carboxamide
Synonym: Dacarbazine; Dacatic; Deticene; Detimedac; DTIC; DTIC-Dome;
DrugBank: DB00851
Source:
Melting Point:
Colour:
Extra Information: antineoplastic agent used to treat malignant melanoma
Experimental
R-Factor (%): 3.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MUFKON
Authors/Journal
Authors: Feng Liang, Yi-Zhi Li, Cheng-Tai Wu, Si-Min Liu
Journal: Acta Crystallogr.,Sect.E:Struct.Rep.Online , 58, m950, 2002
Chemical
Formula: C14 H34 N6 O2,6(H1 Br1)
Name: 1,4,7,11,14,17-Hexa-azacycloicosane-9,19-diol
hexakis(hydrobromide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUFNIK
Authors/Journal
Authors: Wenhua Bi, Daofeng Sun, Rong Cao, Maochun Hong
Chemical
Name: 2,2'-Dithiodibenzoic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUJFOM
Authors/Journal
Authors: Yu.A.Simonov, M.S.Fonar', V.Kh.Kravtsov, J.Lipkowskii,
E.V.Ganin, A.A.Yavolovsky
Chemical
Formula: 2(C10 H12 N6 O1),C12 H24 O6
Name: bis(5-Amino-1-benzyl-1,2,3-triazole-4-carbonic acid hydrazide)
18-crown-6
Synonym:
Source:
Colour: yellowish
Extra Information:
Experimental
R-Factor (%): 5.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUJHIK
Authors/Journal
Authors: R.A.Salem
Chemical
Formula: C21 H23 Cl1 F1 N1 O2,C6 H2 Cl2 O4
Name: 4-(4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl)-1-(4-
fluorophenyl)butan-1-one 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone
Synonym:
Source:
Melting Point:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUJHOQ
Authors/Journal
Authors: R.A.Salem
Chemical
Name: 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone 8-chloro-11-(4-
methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine
Synonym:
Source:
Melting Point:
Colour: purple
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MULYOI
Authors/Journal
Authors: J.Janczak, R.Kubiak, E.Bukowska
Chemical
Name: bis(2-Amino-3-picoline)-1,2-dicyanobenzene
Synonym: bis(3-Methylpyridin-2-amine) phthalonitrile
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.83
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUMGAE
Authors/Journal
Authors: Qing Zhu, Yuan Jun Gao, Hai Yue Gao, Wei Jun Jin
Journal: J.Photochem.Photobiol.A:Chem. , 289, 31, 2014
Chemical
Name: 1,2,4,5-Tetrafluoro-3,6-diiodobenzene bis(9-ethyl-9H-
carbazole)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.76
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUMGUY
Authors/Journal
Authors: Rongming Wang, Linhai Jing, Dabin Qin
Chemical
Name: 3-(4-Chlorophenyl)-N-hydroxy-2-(2-hydroxyphenyl)-3-(2-methyl-
1H-indol-3-yl)propanamide ethyl acetate
Synonym:
Source:
Melting Point:
Colour: yellow
Experimental
R-Factor (%): 4.05
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUNVID
Authors/Journal
Authors: Yong Liu, Huiping Hu, Ling Xu, Bing Qiu, Jie Liang, Fang Ding,
Kang Wang, Manman Chu, Wei Zhang, Ming Ma, Bo Chen, Xinzheng Yang, Yong Sheng Zhao
Chemical
Name: bis(N,N-dimethyl-4-[2-(quinolin-4-yl)ethenyl]aniline) 1,2,4,5-
Synonym: bis(4-(4-Dimethylaminostyryl)quinoline) 1,4-
diiodotetrafluorobenzene
Source:
Melting Point:
Colour: red
Experimental
R-Factor (%): 3.54
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUNVID01
Authors/Journal
Authors: Yong Liu, Huiping Hu, Ling Xu, Bing Qiu, Jie Liang, Fang Ding,
Kang Wang, Manman Chu, Wei Zhang, Ming Ma, Bo Chen, Xinzheng Yang, Yong Sheng Zhao
Chemical
Name: bis(N,N-dimethyl-4-[2-(quinolin-4-yl)ethenyl]aniline) 1,2,4,5-
Synonym:
Source:
Melting Point:
Colour: yellow
Experimental
R-Factor (%): 4.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUROXA
Authors/Journal
Authors: S.Harkema, J.H.M.ter Brake, H.J.G.Meutstege
2087, 1979
Chemical
Name: bis(N-Methyl-urea) oxalic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MUROXA01
Authors/Journal
Authors: S.Harkema, J.H.M.ter Brake, H.J.G.Meutstege
2087, 1979
Chemical
Name: bis(N-Methyl-urea) oxalic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MUROXA03
Authors/Journal
Authors: A.O.F.Jones, C.K.Leech, G.J.McIntyre, C.C.Wilson, L.H.Thomas
Chemical
Name: bis(N-Methylurea) oxalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.08
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MURPYR
Authors/Journal
Authors: A.Damiani, P.de Santis, E.Giglio, A.M.Liquori, R.Puliti,
A.Ripamonti
Chemical
Name: 1,3,7,9-Tetramethyluric acid pyrene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 17.4
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MUSBIN
Authors/Journal
Authors: Ling-Yun Xin, Hai-Xia Wu, Ying-Ge Zhang, Yan-Yan Zhang
Chemical
Name: 2,2'-(1,3-Phenylene)diacetic acid 4,4'-(1,3,4-oxadiazole-2,5-
diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.14
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUSPAS
Authors/Journal
Authors: D.M.Griffith, A.Haughey, S.Chahal, H.Muller-Bunz, C.J.Marmion
Chemical
Name: 1,2-Benzothiazol-3(2H)-one 1,2-benzothiazol-3(2H)-one 1-oxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUVVUX
Authors/Journal
Authors: Jinyue Yang, Na Wang, Beiqian Tian, Xiongtao Ji, Baohong Hou,
Ting Wang, Xin Huang, Junquan Su, Zhanao Yang, Hongxun Hao
Chemical
Name: 4-hydroxybenzoic acid propanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.76
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUWLUN
Authors/Journal
Authors: C.Bathula, R.Mamidala, C.Thulluri, R.Agarwal, K.K.Jha,
P.Munshi, U.Adepally, Ashutosh Singh, M.Thirumala Chary, S.Sen
Chemical
Formula: C13 H8 Br1 N1 O3 S1,C5 H9 N1 O1
Name: (Z)-1-((4-bromothiophen-2-yl)methylene)-6-methylfuro[3,4-
c]pyridine-3,4(1H,5H)-dione , 1-methylpyrrolidin-2-one
Synonym: 1-((4-bromo-2-thienyl)methylene)-6-methylfuro[3,4-c]pyridine-
3,4(1H,5H)-dione 1-methylpyrrolidin-2-one
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.57
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUXZAJ
Authors/Journal
Authors: Chong Wu, Shou-Ting Wu, Qi-Long Zhang, Juan Zou
Chemical
Name: bis(4-{[(pyridin-3-yl)carbamoyl]amino}benzoic acid)
hexanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUXZEN
Authors/Journal
Authors: Xiao-Miao Chen, Zheng-Jun Liu, Jing-Song Cheng, Rong-Fei Zhao,
Lan Qin
Chemical
Name: N-(3-nitrobenzene-1-sulfonyl)-beta-alanine 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUYTAC
Authors/Journal
Authors: B.B.Ivanova, M.Spiteller
Chemical
Name: 5-(Hydroxyimino)pyrimidine-2,4,6(1H,3H,5H)-trione N-hydroxy-1-
(pyridin-3-yl)methanimine
Synonym: Pyridine-3-aldoxime violuric acid
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.47
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUYTEG
Authors/Journal
Authors: B.B.Ivanova, M.Spiteller
Chemical
Name: 2-Ammonio-3-(5-hydroxy-1H-indol-3-yl)propanoate pyrimidine-
2,4,6(1H,3H,5H)-trione
Synonym: 5-Hydroxy-L-tryptophan barbituric acid
Source:
Melting Point:
Colour: yellow
Experimental
R-Factor (%): 3.66
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUZFEU
Authors/Journal
Authors: T.P.Rupasinghe, K.M.Hutchins, B.S.Bandaranayake, S.Ghorai,
C.Karunatilake, D.-K.Bucar, D.C.Swenson, M.A.Arnold, L.R.MacGillivray, A.V.Tivanski
Chemical
Name: 4,6-dibromobenzene-1,3-diol 4,4'-ethene-1,2-diyldipyridine
Synonym: 4,4'-(1,2-ethenediyl)bispyridine 4,6-dibromo-1,3-benzenediol
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.16
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUZFIY
Authors/Journal
Authors: T.P.Rupasinghe, K.M.Hutchins, B.S.Bandaranayake, S.Ghorai,
C.Karunatilake, D.-K.Bucar, D.C.Swenson, M.A.Arnold, L.R.MacGillivray, A.V.Tivanski
Chemical
Name: 4,6-diiodobenzene-1,3-diol 4,4'-ethene-1,2-diyldipyridine
Synonym: 4,4'-(1,2-ethenediyl)bispyridine 4,6-diiodo-1,3-benzenediol
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.21
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MUZJOI
Authors/Journal
Authors: Fu An Tsao, Levy Cao, S.Grimme, D.W.Stephan
Chemical
Formula: 2(C30 H33 B1 Te1),C14 H10
Name: bis(2,6-bis(4-t-butylphenyl)-4-phenyl-4H-1,4-telluraborinine)
1,1'-ethyne-1,2-diyldibenzene
Synonym: bis(2,6-bis(4-t-butylphenyl)-4-phenyl-4H-1,4-telluraborinine)
diphenylacetylene
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: MXTTCQ01
Authors/Journal
Authors: W.Hinrichs, G.Klar
Chemical
Name: 2,3,7,8-Tetramethoxythianthrene 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: dark blue
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MXTTCQ10
Authors/Journal
Authors: O.A.D'yachenko, L.O.Atovmyan, A.S.Kovalev, S.V.Soboleva
Chemical
Name: 2,3,7,8-Tetramethoxythianthrene 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: MYFLTC
Authors/Journal
Authors: D.Chasseau, J.Gaultier, C.Hauw, J.M.Fabre, L.Giral,
E.Torreilles
2811, 1978
Chemical
Name: 2,2'-(cyclohexa-2,5-diene-1,4-diylidene)dipropanedinitrile 2-
(2H-1,3-dithiol-2-ylidene)-5,6-dihydro-2H,4H-cyclopenta[d][1,3]dithiole
Synonym: 3,4-Trimethylene-2,2',5,5'-tetrathiafulvalene-7,7,8,8-
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NABCAV
Authors/Journal
Authors: Fang F.Jian, Pu S.Zhao, Qing Yu, Qing X.Wang, Kui Jiao
Chemical
Name: Dimethylglyoxime bis(benzoic acid)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.11
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NABCEZ
Authors/Journal
Authors: Fang F.Jian, Pu S.Zhao, Qing Yu, Qing X.Wang, Kui Jiao
Chemical
Name: Dimethylglyoxime bis(cinnamic acid)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAFPOC
Authors/Journal
Authors: P.Nandy
Chemical
Formula: C44 H30 N4 O4,2(C12 H12 N2)
Name: 5,10,15,20-tetrakis(4-hydroxyphenyl)porphyrin bis(4-(2-
(pyridin-4-yl)ethyl)pyridine)
Synonym:
Source:
Melting Point:
Colour: blue
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAHMUH
Authors/Journal
Authors: Jian-Rong Wang, Qihui Yu, Wenjuan Dai, Xuefeng Mei
Chemical
Name: 9,10-secocholesta-5,7,10-trien-3-ol 9,10-secoergosta-
5,7,10,22-tetraen-3-ol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.66
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAJZUW
Authors/Journal
Authors: M.K.Chaitanya Mannava, K.Suresh, Ashwini Nangia
Chemical
Formula: C8 H10 N2 S1,0.5(C6 H10 O4)
Name: 2-ethylpyridine-4-carbothioamide hemikis(trans-butenedioic
acid)
Synonym: 2-ethylpyridine-4-carbothioamide hemiskis(adipic acid)
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 8.38
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAKBAF
Authors/Journal
Chemical
Name: 2-ethylpyridine-4-carbothioamide hexanedioic acid
Synonym: 2-ethylpyridine-4-carbothioamide but-2-enedioate; Ethionamide-
Fumaricacid cocrystal
Source:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.18
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAKBIN
Authors/Journal
Chemical
Formula: C8 H10 N2 S1,0.5(C8 H14 O4)
Name: 2-ethylpyridine-4-carbothioamide hemikis(octanedioic acid)
Synonym: ethionamide hemikis(suberic acid)
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 10.23
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAKGOY
Authors/Journal
Authors: S.USHA
Chemical
Name: L-phenylalanine mandelic acid
Synonym: L-phenylalanine hydroxy(phenyl)acetic acid
Source:
Colour: pale yellow
Extra Information: for stereoisomer see [IREKAR], [NONZOF], [NONZUL]; Luminescent
Experimental
R-Factor (%): 0.0
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAKYOQ
Authors/Journal
Authors: M.Oruganti, P.Khade, U.K.Das, D.R.Trivedi
Chemical
Name: 2,5-dihydroxybenzoic acid N'-
isopropylideneisonicotinohydrazide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.15
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAKZIL
Authors/Journal
Authors: M.Oruganti, P.Khade, U.K.Das, D.R.Trivedi
Chemical
Name: 3-aminobenzoic acid N'-isopropylideneisonicotinohydrazide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.99
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAMZOT
Authors/Journal
Authors: Zulkarnain, I.M.Khan, A.Ahmad, Lal Miyan, M.Ahmad, Nafe Azizc
Chemical
Name: 2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone bis(4-
nitroaniline)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NANFIR
Authors/Journal
Authors: D.Szabo, I.Kapovits, G.Argay, M.Czugler, A.Kalman,
T.Koritsanzky
Chemical
Formula: C18 H12 O3 S1,0.5(C4 H8 O2)
Name: Spiro(3H-2,1-benzoxathiole-1,1'-naphtho(1,8-d,e)-3H-2,1-
oxathiin)-3'-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NANPCX
Authors/Journal
Authors: W.B.Schweizer, G.Procter, M.Kaftory, J.D.Dunitz
Chemical
Name: 8-(N,N-Dimethylamino)naphthalene-1-carboxylic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The bonds indicated in Figure 10 for the amino acid are really
for the zwitterion and vice versa. x(N2,C102,C103,C104,O11,O12) are all negative
REFCODE: NANPUO
Authors/Journal
Chemical
Name: Phthalic acid 2,5-bis(pyrid-4-yl)-1,3,4-oxadiazole
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NANQAV
Authors/Journal
Chemical
Name: Isophthalic acid 2,5-bis(pyrid-3-yl)-1,3,4-oxadiazole
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.76
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NANQEZ
Authors/Journal
Chemical
Name: Isophthalic acid 2,5-bis(pyrid-4-yl)-1,3,4-oxadiazole
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NANQID
Authors/Journal
Chemical
Name: Terephthalic acid 2,5-bis(pyrid-3-yl)-1,3,4-oxadiazole
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NANQOJ
Authors/Journal
Chemical
Name: Terephthalic acid 2,5-bis(pyrid-4-yl)-1,3,4-oxadiazole
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.32
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAPRAY
Authors/Journal
Authors: M.Dabrowski, J.Kubicka, S.Lulinski, J.Serwatowski
Chemical
Formula: C14 H24 Br2 O2 Si2,C8 H8 Br2 O2
Name: 1,4-bis(Trimethylsilyl)-2,5-dibromo-3,6-dimethoxybenzene 1,4-
dibromo-2,5-dimethoxybenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAPSOO
Authors/Journal
Authors: T.V.Sreevidya, G.Golden, N.Saper, J.Feldman, M.Botoshansky,
M.Kaftory
Chemical
Name: 5-Chloropyridin-2(1H)-one 4,4'-cyclohexane-1,1-diyldiphenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAPSUU
Authors/Journal
M.Kaftory
Chemical
Formula: C30 H22 O2,2(C5 H4 Cl1 N1 O1)
Name: 5-Chloropyridin-2(1H)-one 1,1,6,6-tetraphenylhexa-2,4-diyne-
1,6-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAPTAB
Authors/Journal
M.Kaftory
Chemical
Name: 5-Nitropyridin-2(1H)-one 1,1,6,6-tetraphenylhexa-2,4-diyne-
1,6-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAPTEF
Authors/Journal
M.Kaftory
Chemical
Name: 5-Nitropyridin-2(1H)-one 4,4'-(9H-fluorene-9,9-diyl)diphenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAPTIJ
Authors/Journal
M.Kaftory
Chemical
Name: Benzene-1,2,4,5-tetracarboxylic acid 5-nitropyridin-2(1H)-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAPTOP
Authors/Journal
M.Kaftory
Chemical
Name: resorcinol 5-nitropyridin-2(1H)-one
Synonym: 5-Nitropyridin-2(1H)-one benzene-1,3-diol
Source:
Melting Point:
Colour: brown yellow
Extra Information:
Experimental
R-Factor (%): 3.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAPYMA01
Authors/Journal
Authors: M.Le Bars-Combe, B.Chion, J.Lajzerowicz-Bonneteau
913, 1979
Chemical
Name: Naphthalene-pyromellitic dianhydride complex
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NARSOP
Authors/Journal
Journal: Comptes Rendus Chimie , 8, 1017, 2005
Chemical
Formula: 3(C6 H4 S4),2(C13 H5 N3 O7)
Name: tris(Tetrathiafulvalene) bis(2,4,7-trinitro-9-fluorenone)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.07
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NARSOP01
Authors/Journal
Chemical
Formula: 3(C6 H4 S4),2(C13 H5 N3 O7)
Name: tris(Tetrathiafulvalene) bis(2,4,7-trinitro-9-fluorenone)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.99
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NASWUC
Authors/Journal
Authors: Xiang Ren, Qihang Guo, Jianhui Chen, Hujun Xie, Qing Xu, Zhan
Lu
Chemical
Name: (3-methylphenyl)(2-oxo-1,3-oxazolidin-4-yl)methyl 4-
(trifluoromethyl)benzoate diethylamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: The identity of the second species in the structure is not
clear; we have assumed that it is diethylamine
REFCODE: NAVFOI01
Authors/Journal
Authors: Wei Zhao, Yun Wang, Aijian Wang
Journal: Journal of Materials Science and Chemical Engineering , 5,
79841, 2017
Chemical
Name: 1,4,7,10-tetrakis(2-(4-methoxyphenoxy)ethyl)-1,4,7,10-tetra-
azacyclododecane hydrobromide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.53
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAVNAC01
Authors/Journal
Authors: C.M.Santana, E.W.Reinheimer, H.R.Krueger Junior,
L.R.MacGillivray, R.H.Groeneman
Chemical
Formula: C10 H8 N4,C6 H2 Br4
Name: 4-(pyridin-4-yldiazenyl)pyridine 1,2,4,5-tetrabromobenzene
Synonym:
Source:
Melting Point:
Colour: red orange
Extra Information:
Experimental
R-Factor (%): 2.53
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAWSOU
Authors/Journal
Authors: T.Zimmermann, R.Gompper, K.Polborn
Chemical
Formula: C25 H16 N4 O8,0.5(C6 H4 I2)
Name: tetrakis(4-Nitrophenyl)methane hemikis(1,4-bis(iodo)benzene)
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.59
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAXJIH
Authors/Journal
Authors: S.Villa, D.Masciocchi, A.Gelain, F.Meneghetti
Journal: Chem.Biodiversity , 9, 1240, 2012
Chemical
Name: 1,3-bis(4-methyl-1,2,5-oxadiazol-3-yl)urea 1,3-dibenzylurea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAXSOW
Authors/Journal
Authors: Shouwen Jin, Daqi Wang, Shanshan Liang, Shaojun Chen
Chemical
Name: Cyclohexane-1,4-dicarboxylic acid pyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.84
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAYMOP
Authors/Journal
Authors: D.G.Hamilton, D.E.Lynch, K.A.Byriel, C.H.L.Kennard
Chemical
Name: 2,6-Dimethoxynaphthalene pyromellitic di-imide
Synonym:
Source:
Melting Point: above 190deg.C(dec.)
Extra Information:
Experimental
R-Factor (%): 3.47
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NAYMUV
Authors/Journal
Authors: D.G.Hamilton, D.E.Lynch, K.A.Byriel, C.H.L.Kennard
Chemical
Name: 1,5-bis(2-(2-Hydroxyethoxy)ethoxy)naphthalene pyromellitic di-
imide
Synonym:
Source:
Extra Information:
Experimental
R-Factor (%): 6.17
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NAZGUS
Authors/Journal
Authors: P.P.Deshpande, J.Singh, A.Pullockaran, T.Kissick,
B.A.Elsworth, J.Z.Gougoutas, J.Dimarco, M.Fakes, M.Reyes, Chiajen Lai, H.Lobinger,
T.Denzel, P.Ermann, G.Crispino, M.Randazzo, Zenrong Gao, R.Randazzo, M.Lindrud,
V.Rosso, F.Buono, W.W.Doubleday, S.Leung, P.Richberg, D.Hughes, W.N.Washburn, Wei
Meng, K.J.Volk, R.J.Mueller
Journal: Org.Process Res.Dev. , 16, 577, 2012
Chemical
Name: (2S,3R,4R,5S,6R)-2-(3-(4-Ethylbenzyl)-phenyl)-6-hydroxymethyl-
tetrahydro-2H-pyran-3,4,5-triol L-proline
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.58
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NEBVOH
Authors/Journal
Chemical
Name: 2-Chlorobenzoic acid 4,6-dimethoxypyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEBWIC
Authors/Journal
Chemical
Name: bis(4,6-dimethylpyrimidin-2-amine) glutaric acid
Synonym: PDB Chemical Component code: 5ZE
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.76
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEBWOI
Authors/Journal
Chemical
Name: bis(4,6-dimethylpyrimidin-2-amine) adipic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEBWUO
Authors/Journal
Chemical
Name: 4,6-dimethoxypyrimidin-2-amine 3-methylbenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEBXAV
Authors/Journal
Chemical
Name: 4,6-dimethoxypyrimidin-2-amine 3-phenylacrylic acid
Synonym: 4,6-dimethoxypyrimidin-2-amine cinnamic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.59
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEBXEZ
Authors/Journal
Chemical
Name: 4,6-dimethoxypyrimidin-2-amine 4-nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEBXID
Authors/Journal
Chemical
Name: 4,6-dimethoxypyrimidin-2-amine 4-methoxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEBXOJ
Authors/Journal
Chemical
Name: bis(4,6-dimethoxypyrimidin-2-amine) isophthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.15
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEBXUP
Authors/Journal
Chemical
Name: 4,6-dimethoxypyrimidin-2-amine chloroacetic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.25
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEFFEM01
Authors/Journal
1007, 2017
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.35
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEFGEN01
Authors/Journal
1007, 2017
Chemical
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEHJER01
Authors/Journal
Authors: M.D.Eddleston, B.Patel, G.M.Day, W.Jones
Chemical
Name: 1,3,7-Trimethyl-3,7-dihydro-1H-purine-2,6-dione 1,3-dimethyl-
3,7-dihydro-1H-purine-2,6-dione
Synonym: Caffeine theophylline
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NEKDAJ
Authors/Journal
Authors: Rui Xu, V.Gramlich, H.Frauenrath
Chemical
Formula: C20 H4 F10 O4,C20 H14 O4
Name: Hexa-2,4-diyn-1,6-diyl bis(perfluorobenzoate) hexa-2,4-diyn-
1,6-diyl dibenzoate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.45
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEKDEN
Authors/Journal
Authors: J.B.Benedict, D.E.Cohen, S.Lovell, A.L.Rohl, B.Kahr
Chemical
Name: 4-Dimethylamino-azoniobenzene-2-carboxylate 2,5-
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.25
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NELPOJ02
Authors/Journal
Authors: J.B.Baruah
Chemical
Name: N,N'-dihydroxybutane-2,3-diimine 2,3-dimethylquinoxaline
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NELQAX
Authors/Journal
Authors: N.G.Khusainova, O.A.Mostovaya, I.A.Litvinov, D.B.Krivolapov,
E.A.Berdnikov, R.A.Cherkasov
2005
Chemical
Formula: C16 H23 N2 O3 P1 S1,C7 H6 N2 S1
Name: 1-Diethoxyphosphoryl-2-(2-imino-2,3-dihydrobenzothiazol-3-yl)-
3-methylbut-2-ene 2-aminobenzothiazole
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.8
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NELTIH
Authors/Journal
Authors: R.Moreno-Fuquen, F.Cano, M.Martinez-Ripoll, A.Montano,
J.Zukerman-Schpector
Chemical
Name: 2,4-Dinitrophenol 4-methoxypyridine N-oxide
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEMSUT
Authors/Journal
Authors: R.C.Bott, G.Smith, U.D.Wermuth, N.C.Dwyer
Chemical
Name: 3,5-Dinitrobenzoic acid phenylurea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEMTAA
Authors/Journal
Chemical
Name: 5-Nitrosalicyclic acid phenylurea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.98
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEMTEE
Authors/Journal
Chemical
Name: 2-Nitrobenzoic acid phenylurea
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEMTOO
Authors/Journal
Chemical
Name: 2,4,6-Trinitrobenzoic acid phenylurea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NENDAM
Authors/Journal
Authors: Yi Wang, Wei Feng, Lin Xue, Ji-Min Zheng
Chemical
Name: 3-Nitrophthalic acid 3-methyl-4-nitropyridine N-oxide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NENRUT
Authors/Journal
Authors: D.C.Apperley, N.Bricklebank, M.B.Hursthouse, M.E.Light,
S.J.Coles
Chemical
Formula: C26 H24 P2 S2,2(I2)
Name: 1,2-bis(Diphenylthiophosphinoyl)ethane bis(di-iodine)
Synonym: 1,2-bis(Diphenylphosphino)ethane disulfide bis(di-iodine)
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.05
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEPXIR07
Authors/Journal
Chemical
Name: glycine phthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.51
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEPXIR08
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEPXIR09
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEQRIL
Authors/Journal
Authors: Yong-Tao Wang, Gui-Mei Tang, S.W.Ng
Chemical
Name: bis(Naphthalene-2,7-diol) 1,2,4-triazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEVKAB
Authors/Journal
Authors: K.Saminathan, K.Sivakumar
Chemical
Name: 2-Nitroaniline hemikis(picric acid)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEVKAB01
Authors/Journal
Authors: A.Aditya Prasad, M.Sundaram
Chemical
Name: bis(2-Nitroaniline) 2,4,6-trinitrophenol
Synonym: bis(2-Nitroaniline) picrate
Source:
Melting Point:
Colour: reddish yellow
Extra Information:
Experimental
R-Factor (%): 5.85
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NEXXIX
Authors/Journal
Authors: D.E.Lynch, T.Latif, G.Smith, K.A.Byriel, C.H.L.Kennard
Chemical
Name: 2-Aminopyrimidine indole-2-carboxylic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.06
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NEZMAG
Authors/Journal
Authors: M.R.Caira, A.Horne, L.R.Nassimbeni, F.Toda
Chemical
Name: 1,1-bis(4-Hydroxyphenyl)cyclohexane o-benzenediol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.24
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NEZXAT
Authors/Journal
Authors: K.Johmoto, A.Sekine, H.Uekusa
Chemical
Name: bis(4-((2-Hydroxybenzylidene)amino)benzoic acid) 4,4'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NHAZMS
Authors/Journal
Authors: B.Rerat, J.Berthou, A.Laurent, C.Rerat
Journal: C.R.Acad.Sci.,Ser.C (Chim) , 267, 760, 1968
Chemical
Name: 1,3,5-Trinitrohexahydrotriazine-tetramethylene-sulfone complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information: for isomer see [SIFRAD]
Experimental
R-Factor (%): 12.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NHAZMS02
Authors/Journal
Authors: T.M.Haller, T.B.Brill, A.L.Rheingold
Chemical
Name: Hexahydro-1,3,5-trinitro-1,3,5-triazine tetrahydrothiophene-
1,1-dioxide
Synonym:
Source:
Melting Point:
Colour:
Extra Information: for isomer see [SIFRAD]
Experimental
R-Factor (%): 3.98
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIBJUF
Authors/Journal
Authors: Changyan Guo, Haobin Zhang, Xiaochuan Wang, Xiaofeng Liu, Jie
Sun
Journal: J.Mater.Sci. , 48, 1351, 2013
Chemical
Name: 1,3,5-Trinitrobenzene 2-methyl-1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.42
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIBZAM
Authors/Journal
Authors: F.Iwasaki, Y.Saito
251, 1970
Chemical
Name: s-Trinitrobenzene-s-triaminobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.2
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NICSOJ
Authors/Journal
Authors: Qian Jin Shen, Xue Pang, Xiao Ran Zhao, Hai Yue Gao, Hao-Ling
Sun, Wei Jun Jin
Chemical
Name: bis(1,2,4,5-Tetrafluoro-3,6-diiodobenzene) biphenyl
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.04
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NICTAW
Authors/Journal
Authors: Qian Jin Shen, Xue Pang, Xiao Ran Zhao, Hai Yue Gao, Hao-Ling
Sun, Wei Jun Jin
Chemical
Name: bis(1,2,4,5-Tetrafluoro-3,6-diiodobenzene) naphthalene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIFCAH
Authors/Journal
Authors: Jian Li, Zu-Pei Liang, Huan-Mei Guo
Chemical
Name: Phthalic acid 4,6-dimethylpyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.69
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIGFIS
Authors/Journal
Authors: Z.Dega-Szafran, M.Grundwald-Wyspianska, A.Kania,
Z.Kosturkiewicz, E.Tykarska, M.Szafran
Chemical
Name: 4-Methoxy-2,6-dimethylpyridine N-oxide pentachlorophenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.16
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIGPOI
Authors/Journal
Authors: L.J.Barbour, G.W.Orr, J.L.Atwood
Chemical
Formula: 2(C56 H44 I4 O4),C60
Name: bis(5,11,17,23-Tetra-iodo-25,26,27,28-
tetrakis(benzyloxy)calix(4)arene) C60fullerene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 8.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIGVIK
Authors/Journal
Authors: A.A.Al-Amiery, A.A.Al-Temimi, A.A.H.Kadhum, Ya.K.Al-Majedy,
R.I.Al-Bayati, H.A.Aday, A.B.Mohamad
Chemical
Formula: C13 H11 Cl1 O5,C13 H10 N2 S1
Name: Methyl ((3-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetate
2-(1,3-benzothiazol-2-yl)aniline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.95
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIHDAJ
Authors/Journal
Authors: M.Leibovitch, G.Olovsson, J.R.Scheffer, J.Trotter
Chemical
Name: (R)-(+)-alpha-Methylbenzylamine 4-(1-methyl-homoadamantan-1,3-
diyl-methanol)benzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information: irradiated product
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIJGIY
Authors/Journal
Chemical
Name: 6-Phenyl-1,3,5-triazine-2,4-diamine succinate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.33
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIJGOE
Authors/Journal
Chemical
Name: 6-Phenyl-1,3,5-triazine-2,4-diamine hemikis(oxalic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.43
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIJGUK
Authors/Journal
Chemical
Name: 6-Phenyl-1,3,5-triazine-2,4-diamine but-2-enedioate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIJHAR
Authors/Journal
Chemical
Name: 6-Phenyl-1,3,5-triazine-2,4-diamine but-2-enedioate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.07
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIJHEV
Authors/Journal
Chemical
Name: Hexanedioic acid 6-phenyl-1,3,5-triazine-2,4-diamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIJLOK
Authors/Journal
Authors: R.Usman, Arshad Khan, Mingliang Wang, Yi Luo, Weiwei Sun, Hao
Sun, Cunbin Du, Nongyue He
Chemical
Name: bis(3-(anthracen-9-yl)-2-phenylprop-2-enenitrile) benzene-
1,2,4,5-tetracarbonitrile
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 6.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIJLUQ
Authors/Journal
Chemical
Name: 2-(4-methylphenyl)-3-(naphthalen-2-yl)prop-2-enenitrile
bis(benzene-1,2,4,5-tetracarbonitrile)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIJMAX
Authors/Journal
Chemical
Name: bis(2-(4-methoxyphenyl)-3-(pyren-1-yl)prop-2-enenitrile)
Synonym:
Source:
Melting Point:
Colour: maroon
Extra Information:
Experimental
R-Factor (%): 4.92
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIKLIF
Authors/Journal
Authors: Aisen Li
Chemical
Name: 4,4'-bipyridine bis(1,2,3,4,5-pentafluoro-6-iodobenzene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.45
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIKLOL
Authors/Journal
Authors: M.Kubicki
Chemical
Name: 1,4-dimethyl-2,3-dinitrobenzene 2,5-dimethyl-1,3-
dinitrobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIKYAK
Authors/Journal
Authors: Xin Su, Yu-nan Zhang, He-mei Yin, Li-xin Liu, Yu Zhang, Li-li
Wu, Qiang Zhang, Chao-xing Wang, Lei Zhang, Yun-jie Zhang, Yao-xin Zhang
Chemical
Formula: C15 H10 O6,1.5(C10 H8 N2)
Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
sesquikis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NILZUD
Authors/Journal
Authors: R.Moreno-Fuquen, M.T.do Prada Gambardella, J.Valderrama-N
Chemical
Name: bis(3-Picoline N-oxide) hydroquinone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIMHEX
Authors/Journal
Authors: Ching-Yao Lin, Long-Je Lee, Chia-Liang Lin, Ping-Hsuan Lin,
Long-Li Lai, Yuh-Sheng Wen
Journal: J.Chin.Chem.Soc.(Taipei) , 54, 693, 2007
Chemical
Formula: C15 H22 O3,0.5(C14 H16 N4)
Name: 4-(octyloxy)benzoic acid hemikis(1,4-dipyridin-4-ylpiperazine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NINMEF
Authors/Journal
Authors: A.Carletta, M.Zbacnik, M.Van Gysel, M.Vitkovic, N.Tumanov,
V.Stilinovic, J.Wouters, D.Cincic
Chemical
Name: 1,2,3,4-tetrafluoro-5,6-diiodobenzene 2-methoxy-6-[(1E)-
[(pyridin-3-yl)imino]methyl]phenol
Synonym:
Source:
Melting Point:
Colour: yellow
Experimental
R-Factor (%): 3.12
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NINPIM
Authors/Journal
Chemical
Name: bis(2-methoxy-6-(((pyridin-3-yl)imino)methyl)phenol) 1,3,5-
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NINSAH
Authors/Journal
Chemical
Name: 2-methoxy-6-(((pyridin-3-yl)imino)methyl)phenol 1,2,3,5-
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.12
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NINSEL
Authors/Journal
Chemical
Name: 2-methoxy-6-(((pyridin-4-yl)imino)methyl)phenol 1,3,5-
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.44
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NINSUB
Authors/Journal
Chemical
Name: bis(2-methoxy-6-(((pyridin-4-yl)imino)methyl)phenol) 1,2,3,4-
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.04
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NINTHT
Authors/Journal
Authors: R.Dodge, Q.Johnson, W.Selig
Chemical
Formula: C6 H10 N2 O8,2(C4 H8 O1 S1)
Name: 1,4-Dideoxy-1,4-dinitro-neo-inositol-bis(tetrahydrothiophene-
1-oxide) complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIPLUW
Authors/Journal
Authors: Yingjie Liu, Qingxin Zeng, Bo Zou, Yu Liu, Bin Xu, Wenjing
Tian
Chemical
Name: 4,4'-[1,4-phenylenebis(ethene-2,1-diyl)]dibenzonitrile
Synonym:
Source:
Melting Point:
Colour: orange
Experimental
R-Factor (%): 4.29
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIPXOC
Authors/Journal
Authors: Man Du, Mingliang Wang, Ruimin Zhang
Chemical
Name: bis(1-(3-phenyl-5-(pyren-1-yl)-4,5-dihydro-1H-pyrazol-1-
yl)ethanone) 2,3,5,6-tetrachloro-1,4-benzoquinone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.59
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIPYET
Authors/Journal
Chemical
Name: bis(1-(5-(9-anthryl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-
pyrazol-1-yl)ethanone) 2,3,5,6-tetrachloro-1,4-benzoquinone
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 7.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIPYIX
Authors/Journal
Chemical
Formula: 2(C25 H16 O1),C6 Cl4 O2
Name: bis(3-phenyl-1-(pyren-1-yl)prop-2-en-1-one) 2,3,5,6-
tetrachloro-1,4-benzoquinone
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.59
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIQJAB
Authors/Journal
Authors: A.Le Bail, L.Smrcok
Journal: Powder Diffr. , 26, 321, 2011
Chemical
Formula: C5 H7 N3,H3 O4 P1
Name: 3,4-diaminopyridine phosphoric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.68
Temperature: 298
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIQNIL
Authors/Journal
Authors: P.Devi, P.T.Muthiah
Chemical
Name: bis(2-Amino-4,6-dimethylpyrimidine) terephthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIRSIQ
Authors/Journal
Authors: J.A.Paixao, A.Matos Beja, M.Ramos Silva, L.Alte da Veiga,
J.Martin-Gil, F.Martin-Gil, E.de Matos Gomes
Chemical
Formula: C5 H11 N1 O2,H2 O3 Se1
Name: Betaine dihydrogenselenite
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.63
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NISMAD
Authors/Journal
Authors: G.Ferguson, C.Glidewell, R.M.Gregson, P.R.Meehan,
I.L.J.Patterson
Chemical
Name: bis(4,4'-Biphenol) 1,2-diaminoethane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.78
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NISTAK01
Authors/Journal
Authors: De-Suo Yang
Chemical
Name: bis(Pyridinium-4-olate) succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.57
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NITRIR01
Authors/Journal
Authors: M.L.Greer, B.J.McGee, R.D.Rogers, S.C.Blackstock
Chemical
Formula: 2(C8 H12 N2 O2),C6 N4
Name: bis(2,3,5,6-Tetramethylpyrazine-N,N'-dioxide) tetracyanoethene
Synonym:
Source:
Colour: purple
Extra Information:
Experimental
R-Factor (%): 5.35
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIVFIK
Authors/Journal
Authors: Vincent Pont, H.Stoeckli-Evans
Chemical
Formula: C16 H16 O3,0.5(C12 H4 N4)
Name: 4-(2-(3,4-dimethoxyphenyl)ethenyl)phenol hemikis(2,2'-
(cyclohexa-2,5-diene-1,4-diylidene)dipropanedinitrile)
Synonym: 4-(2-(3,4-dimethoxyphenyl)ethenyl)phenol hemikis(7,7,8,8-
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.62
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIWCIF
Authors/Journal
Authors: H.Koshima, Y.Wang, T.Matsuura, I.Miyahara, H.Mizutani,
K.Hirotsu, T.Asahi, H.Masuhara
Chemical
Name: Acridine phenothiazine
Synonym:
Source:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIWQIW
Authors/Journal
Authors: Arshad Khan, Mei Liu, R.Usman, Nongyue He, Rongrong Li,
S.M.Sayed, Shaohan Li, Weiwei Sun, Hui Chen, Lubing Zhang, Leyi Qiu, Tian Tang
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile phenanthrene-9-carbaldehyde
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIWQOC
Authors/Journal
Authors: Arshad Khan, Mei Liu, R.Usman, Nongyue He, Rongrong Li,
S.M.Sayed, Shaohan Li, Weiwei Sun, Hui Chen, Lubing Zhang, Leyi Qiu, Tian Tang
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 1-(phenanthren-9-yl)ethan-1-
one
Synonym:
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 7.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIXKEK
Authors/Journal
Authors: K.Biradha, A.Nangia, G.R.Desiraju, C.J.Carrell, H.L.Carrell
Chemical
Name: Dibenzylidenecyclopentanone picric acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIXKIO
Authors/Journal
Chemical
Name: Dibenzylideneacetone picric acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIYGAD
Authors/Journal
Authors: M.S.Fonar', Yu.A.Simonov, M.D.Mazus, E.V.Ganin,
V.O.Gel'mbol'dt
Chemical
Formula: C20 H36 O6,2(H2 B1 F3 O1)
Name: Dicyclohexano-18-crown-6 bis(monoaquatrifluoroboron)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIYSET
Authors/Journal
Authors: F.Toda, K.Tanaka, H.Miyamoto, H.Koshima, I.Miyahara, K.Hirotsu
Chemical
Formula: C30 H20 Cl2 O2,C30 H20 Br2 O2
Name: (+)-1,6-bis(o-Chlorophenyl)-1,6-diphenylhexa-2,4-diyne-1,6-
diol (-)-1,6-bis(o-bromophenyl)-1,6-diphenylhexa-2,4-diyne-1,6-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.53
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NIZDIM
Authors/Journal
Authors: S.Balachandar, M.Dhandapani
Chemical
Name: trichloroacetic acid 1H-pyrazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NIZQES
Authors/Journal
Authors: P.Comba, A.Fath, A.Kuhner, B.Nuber
Chemical
Name: 2,3,9,10-Dibenzo-6,13-dihydroxy-1,4,8,11-
tetrathiacyclotetradecane 2,3,9,10-dibenzo-6,13-dihydroxy-1,4,8,11-
tetrathiacyclotetradecane-4-oxide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NOFGAT
Authors/Journal
Authors: A.I.Subota, A.O.Lutsenko, B.V.Vashchenko, D.M.Volochnyuk,
V.Levchenko, Y.V.Dmytriv, E.B.Rusanov, A.O.Gorlova, S.V.Ryabukhin, O.O.Grygorenko
Chemical
Formula: 2(C13 H21 F6 N1 O2),C3 H2 F6 O2
Name: bis(2-[2,2-dimethyl-1-(piperidin-1-ium-2-yl)propoxy]-
1,1,1,3,3,3-hexafluoropropan-2-olate) hexafluoropropane-2,2-diol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOKWUF
Authors/Journal
Authors: H.Koshima, E.Hayashi, T.Matsuura, K.Tanaka, F.Toda, M.Kato,
M.Kiguchi
Chemical
Name: Phenanthridine 3-indolepropionic acid
Synonym: PDB Chemical Component code: IOP
Source:
Colour: yellow
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOKZEV
Authors/Journal
Chemical
Name: 4-(5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-
yl)benzene-1-sulfonamide pyridin-2(1H)-one
Synonym: celecoxib pyridin-2(1H)-one
Source:
Colour: colorless
Extra Information: celecoxib is a nonsteroidal anti-inflammatory drug (NSAID)
Experimental
R-Factor (%): 4.94
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOKZIZ
Authors/Journal
Chemical
yl)benzene-1-sulfonamide 6-methylpyridin-2(1H)-one
Synonym: celecoxib 6-methylpyridin-2(1H)-one
Source:
Colour: colorless
Experimental
R-Factor (%): 6.75
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOKZOF
Authors/Journal
Chemical
Formula: C17 H14 F3 N3 O2 S1,C7 H6 F3 N1 O1
yl)benzene-1-sulfonamide 6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one
Synonym: celecoxib 6-methyl-4-(trifluoromethyl)pyridin-2(1H)-one
Source:
Colour: colorless
Experimental
R-Factor (%): 5.27
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOKZUL
Authors/Journal
Chemical
yl)benzene-1-sulfonamide 3-methoxypyridin-2(1H)-one
Synonym: celecoxib 3-methoxypyridin-2(1H)-one
Source:
Colour: colorless
Experimental
R-Factor (%): 6.14
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOLBEY
Authors/Journal
Chemical
Name: 4-chloro-2-(((furan-2-yl)methyl)amino)-5-sulfamoylbenzoic acid
azepan-2-one
Synonym: Furosemide azepan-2-one
Source:
Colour: colorless
Extra Information: Furosemide is a diuretic medication
Experimental
R-Factor (%): 5.43
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOLBOI
Authors/Journal
Chemical
Name: 6-chloro-1,1-dioxo-1,2,3,4-tetrahydro-1lambda$6!,2,4-
benzothiadiazine-7-sulfonamide pyridin-2(1H)-one
Synonym: Hydrochlorothiazide pyridin-2(1H)-one
Source:
Colour: colorless
Extra Information: Hydrochlorothiazide is a diuretic medication
Experimental
R-Factor (%): 7.17
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOLBOI01
Authors/Journal
Chemical
benzothiadiazine-7-sulfonamide pyridin-2(1H)-one
Synonym: Hydrochlorothiazide pyridin-2(1H)-one
Source:
Colour: colorless
Experimental
R-Factor (%): 8.05
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOLCEZ
Authors/Journal
Chemical
Formula: C7 H8 Cl1 N3 O4 S2,2(C6 H11 N1 O1)
benzothiadiazine-7-sulfonamide bis(azepan-2-one)
Synonym: Hydrochlorothiazide bis(azepan-2-one)
Source:
Colour: colorless
Experimental
R-Factor (%): 3.59
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOLJUT
Authors/Journal
Authors: T.M.Krygowski, S.J.Grabowski, R.Anulewicz-Ostrowska,
J.Izdebski, D.Fiertek
Chemical
Formula: C11 H21 N3 O1,H1 Cl1
Name: 1-Methyl-2-(t-butylimino)-4-isopropyl-5(4H)-imidazolone
hydrochloride
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NONZOF
Authors/Journal
Authors: K.Okamura, K.Aoe, H.Hiramatsu, N.Nishimura, T.Sato,
K.Hashimoto
Chemical
Name: (S)-Phenylalanine (S)-mandelic acid
Synonym: PDB Chemical Component code: SMN
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [IREKAR], [NAKGOY], [NONZUL]
Experimental
R-Factor (%): 2.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Cell parameter c is 15.874, not 15.748
REFCODE: NONZUL
Authors/Journal
Authors: K.Okamura, K.Aoe, H.Hiramatsu, N.Nishimura, T.Sato,
K.Hashimoto
Chemical
Name: (R)-Phenylalanine (S)-mandelic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [IREKAR], [NAKGOY], [NONZOF]
Experimental
R-Factor (%): 2.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NOQFUV
Authors/Journal
Authors: M.Tomura, K.Ono, Y.Yamashita
Chemical
Formula: C12 H10 N6 S2,C6 H2 Cl2 O4
Name: 4,4'-Dimethyl-7,7'-bi([1,2,5]thiadiazolo[3,4-b]pyridylidene)
2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone
Synonym: 4,4'-Dimethyl-7,7'-bi([1,2,5]thiadiazolo[3,4-b]pyridylidene)
chloranilic acid
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 7.02
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOQTEV
Authors/Journal
Authors: A.Czapik, M.Jelecki, M.Kwit
Chemical
Name: N-(triphenylacetyl)tyrosine quinoxaline
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.44
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NORTAS
Authors/Journal
Authors: R.Brahma, Munendra Pal Singh, J.B.Baruah
Chemical
Name: benzene-1,2-diol bis(phenazine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 8.28
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NORTEW
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.03
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NORTEW01
Authors/Journal
Authors: Mithun Paul, G.R.Desiraju
Chemical
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.74
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NORTIA
Authors/Journal
Chemical
Formula: 5(C12 H8 N2),2(C10 H8 O2)
Name: bis(naphthalene-2,7-diol) pentakis(phenazine)
Synonym:
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 5.96
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOTBOQ
Authors/Journal
Authors: Rongkai Du, Juan Xu, Lei Zhang, Lifeng Ning, Shan Li
Chemical
Name: pyridine-3-carboxamide 19-norpregna-1,3,5(10)-trien-20-yne-
3,17-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.24
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOTCEH
Authors/Journal
Authors: Rongkai Du, Juan Xu, Lei Zhang, Lifeng Ning, Shan Li
Chemical
Name: 19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol 1H-imidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.14
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOTKIQ
Authors/Journal
Authors: H.Koshima, T.Nakagawa, T.Matsuura
Chemical
Formula: 3(C13 H9 N1),2(C9 H10 O2)
Name: tris(Acridine) bis((R)-(-)-2-phenylpropionic acid)
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NOVSIA
Authors/Journal
Authors: H.Koshima, K.Ding, Y.Chisaka, T.Matsuura, I.Miyahara,
K.Hirotsu
Chemical
Name: Acridine 1-(naphthyl)acetic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NOVSIA01
Authors/Journal
K.Hirotsu
Chemical
Formula: C13 H9 N1,C12 H9 D1 O2
Name: Acridine 1-(naphthyl)deuteroacetic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NOVSOG
Authors/Journal
K.Hirotsu
Chemical
Name: Acridine 3-indoleacetic acid
Synonym: PDB Chemical Component code: IAC
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NOVSUM
Authors/Journal
K.Hirotsu
Chemical
Name: Acridine 9-fluorenecarboxylic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The cell b value is 16.883 not 14.883
REFCODE: NOVTAT
Authors/Journal
K.Hirotsu
Chemical
Name: Acridine 9-fluoreneacetic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NOVTEX
Authors/Journal
K.Hirotsu
Chemical
Name: Phenanthridine 9-fluorenecarboxylic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NOYBOV
Authors/Journal
Authors: P.Das, S.Maity, P.Ghosh, A.Dutta, Suven Das
Chemical
Formula: C23 H18 O4,0.5(C8 H10 O2)
Name: 2,2-bis(4-hydroxy-3-methylphenyl)-1H-indene-1,3(2H)-dione
hemikis(2,5-dimethylbenzene-1,4-diol)
Synonym:
Source:
Melting Point:
Colour: light green
Extra Information:
Experimental
R-Factor (%): 6.98
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NOZLIA
Authors/Journal
Authors: Zhonghua Li, Lina Jia, Peng Shi, Shuang Jiang, Junbo Gong,
Songgu Wu
Chemical
Name: 2-chloro-N-(4'-chloro[1,1'-biphenyl]-2-yl)pyridine-3-
carboxamide 1-methylpyrrolidin-2-one
Synonym: Boscalid 1-methylpyrrolidin-2-one
Source:
Melting Point:
Colour: colorless
Extra Information: Boscalid is a fungicide
Experimental
R-Factor (%): 8.08
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOAPL
Authors/Journal
Authors: J.R.Lechat, R.H.de Almeida Santos, W.A.Bueno
1468, 1981
Chemical
Name: 4-Nitropyridine-N-oxide 3-aminophenol
Synonym:
Source:
Melting Point:
Colour: purple
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NPOFNP
Authors/Journal
Authors: J.Potenza, D.Mastropaolo
2527, 1975
Chemical
Name: Naphthalene-octafluoronaphthalene complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: BOND C7-H1 GIVEN AS .91 IN TAB2 SHOULD BE .97
REFCODE: NPOFNP01
Authors/Journal
T.B.Marder
Chemical
Name: naphthalene octafluoronaphthalene
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP02
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP03
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.32
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP04
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.01
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP05
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP06
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 7.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP07
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP08
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.53
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP09
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP10
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP11
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.51
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP12
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP13
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP14
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 8.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP15
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.92
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP16
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP17
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP18
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 7.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPOFNP19
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NPQHRQ
Authors/Journal
Authors: A.Thozet, J.Gaultier
1052, 1977
Chemical
Name: 1,4-Naphthoquinone hydroquinone
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NPQNHQ
Authors/Journal
Authors: A.Artiga, J.Gaultier, C.Hauw, N.B.Chanh
1212, 1978
Chemical
Name: bis(Naphtho-1,4-quinone)naphtho-1,4-hydroquinone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUBBAN
Authors/Journal
Authors: E.Garcia-Martinez, E.M.Vazquez-Lopez, D.G.Tuck
Chemical
Name: 1,10-Phenanthroline 1,1'-binaphthyl-2,2'-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUBHOH
Authors/Journal
Authors: G.Smith, K.E.Baldry, C.H.L.Kennard, K.A.Byriel
Chemical
Name: Glycine urea
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUBKUQ
Authors/Journal
Authors: C.R.Noe, C.Miculka, H.Vollenkle
Chemical
Formula: 2(C32 H26 O1),C32 H26 O1
Name: bis((R*,S*)-9,9'-(Oxydiethylidene)-bis(anthracene)) cis-8,9-
dihydro-1,3-dimethyl-1H,3H-3a,8(1',2'):9,13b(1'',2'')-
dibenzenodibenzo(3,4:7,8)cyclo-octa(1,2-c)furan
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUBSUB
Authors/Journal
Authors: Y.V.Torubaev, I.V.Skabitsky
Chemical
Formula: C6 H4 N2,0.5(C2 I2)
Name: 4-cyanopyridine hemikis(1,2-di-iodoethene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.43
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUBTAI
Authors/Journal
Authors: Y.V.Torubaev, I.V.Skabitsky
Chemical
Name: pyridine-4-carbonitrile 1,2,3,5-tetrafluoro-4,6-diiodobenzene
Synonym: 4-cyanopyridine 1,3-di-iodotetrafluorobenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.34
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUCHIC
Authors/Journal
Authors: T.Okawa, N.Osakada, S.Eguchi, A.Kakehi
Chemical
Name: 9-Methyl-3-phenyl-2-phenylimino-2,3-dihydropyrido(1,2-a)
(1,3,5)triazin-4-one triphenylphosphine oxide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUDLON
Authors/Journal
Authors: A.Filarowski, A.Koll, T.Glowiak
Chemical
Name: 2-(N,N-Diethylamino)methyl-4-nitrophenol 4-nitrophenol
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.56
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUDMOO
Authors/Journal
Authors: G.Smith, D.E.Lynch, K.A.Byriel, C.H.L.Kennard
Chemical
Formula: 2(C18 H15 O1 P1),C8 H6 O4
Name: bis(Triphenylphosphine oxide) o-phthalic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.97
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUDVEQ
Authors/Journal
Authors: Y.-J.Cui, F.Su, W.-J.Jin
Chemical
Name: bis(phenanthridine) tetraiodoethene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.29
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUDVIU
Authors/Journal
Authors: Y.-J.Cui, F.Su, W.-J.Jin
Chemical
Name: bis(benzo[f]quinoline) tetraiodoethene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.76
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUGQOW
Authors/Journal
Authors: C.Avendano, A.Briceno
Chemical
Name: trans-1,2-bis(2-Pyridyl)ethylene fumaric acid
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUGZEV
Authors/Journal
Authors: Miao Du, Xiu-Juan Jiang, Xue Tan, Zhi-Hui Zhang, Hua Cai
Chemical
Name: Isophthalic acid 4-amino-3,5-bis(pyridin-4-yl)-1,2,4-triazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.33
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUGZEV01
Authors/Journal
Chemical
Name: Isophthalic acid 4-amino-3,5-bis(pyridin-4-yl)-1,2,4-triazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.03
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUGZOF
Authors/Journal
Chemical
Name: 5-Aminoisophthalic acid 4-amino-3,5-bis(pyridin-4-yl)-1,2,4-
triazole
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.89
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUHBAV
Authors/Journal
Authors: T.Otani, Y.Tamai, K.Seki, T.Kikuchi, T.Miyazawa, T.Saito
Chemical
Name: 1-phenyl-1H-pyrrole-2,5-dione 5,7-diethoxy-2,9-diphenyl-
3a,5,7,8,9,9b-hexahydropyrano[3,2-e]isoindole-1,3(2H,4H)-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUHMEI
Authors/Journal
Authors: C.Bielawski, Yuan-Shek Chen, Peng Zhang, P.-J.Prest, J.S.Moore
Chemical
Name: 1,3-bis((2-Aminopyrid-6-yl)ethynyl)benzene isophthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.77
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUHXUJ
Authors/Journal
Authors: G.Smith, K.E.Baldry, K.A.Byriel, C.H.L.Kennard
Chemical
Name: Urea bis(5-nitrosalicylic acid)
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.14
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUHYEU
Authors/Journal
Chemical
Name: Urea bis(4-aminobenzoic acid)
Synonym:
Source:
Colour: pale brown
Extra Information:
Experimental
R-Factor (%): 3.56
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUHYIY
Authors/Journal
Chemical
Name: Urea o-phthalic acid
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUHYOE
Authors/Journal
Chemical
Name: Urea pyrazine-2,3-dicarboxylic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.38
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUHYUK
Authors/Journal
Chemical
Name: bis(Urea) pyridine-2,6-dicarboxylic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.67
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUJDOL
Authors/Journal
Authors: K.Panneerselvam, M.Soriano-Garcia, A.Reyes-Arellano,
J.Tamariz-Mascarua, R.I.Mendoza-Sanchez
Chemical
Name: N,N-bis(Benzylidene)ethylenediamine hydroquinone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: NUJFEF
Authors/Journal
Authors: X.S.Tai, L.L.Liu
Journal: J.Chem.Pharm.Res. , 6, 905-6, 2014
Chemical
Name: 2-(carboxymethyl)benzoic acid 4,4'-bipyridine
Synonym: homophthalic acid 4,4'-bipyridine
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.25
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUJJOU
Authors/Journal
Authors: J.C.Gamekkanda, A.S.Sinha, C.B.Aakeroy
Chemical
Name: N-(1,4-dihydro-5H-tetrazol-5-ylidene)nitramide pyrazine-N,N'-
dioxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.92
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUJKAH
Authors/Journal
Chemical
Name: bis(N-(1-methyl-1,4-dihydro-5H-tetrazol-5-ylidene)nitramide)
2,3,5,6-tetramethyl-pyrazine-N,N'-dioxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUJKEL
Authors/Journal
Chemical
Name: bis(N-(1-methyl-1,4-dihydro-5H-tetrazol-5-ylidene)nitramide)
pyrazine-N,N'-dioxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.18
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUKWOG01
Authors/Journal
Authors: P.Muthuraja, T.Shanmugavadivu, S.Balachandar, M.Sethuram,
M.Dhandapani
Chemical
Name: 2-Aminopyrimidine benzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUKXUN01
Authors/Journal
Chemical
Name: Malonic acid bis(nicotinamide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUKXUN02
Authors/Journal
Chemical
Name: bis(Nicotinamide) malonic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUKYAU01
Authors/Journal
Authors: L.Orola, M.V.Veidis
Chemical
Name: nicotinamide fumaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUKYUO03
Authors/Journal
Chemical
Name: Heptanedioic acid nicotinamide
Synonym: nicotinamide pimelic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUKZAV01
Authors/Journal
Authors: I.Halasz, A.Puskaric, S.A.J.Kimber, P.J.Beldon, A.M.Belenguer,
F.Adams, V.Honkimaki, R.E.Dinnebier, B.Patel, W.Jones, V.Strukil, T.Friscic
Chemical
Name: Nicotinamide octanedioic acid
Synonym: Nicotinamide suberic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.88
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUKZEZ01
Authors/Journal
Authors: I.Halasz, A.Puskaric, S.A.J.Kimber, P.J.Beldon, A.M.Belenguer,
F.Adams, V.Honkimaki, R.E.Dinnebier, B.Patel, W.Jones, V.Strukil, T.Friscic
Chemical
Name: bis(Nicotinamide) octanedioic acid
Synonym: bis(Nicotinamide) suberic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMGUZ
Authors/Journal
Authors: G.Bolla, S.Mittapalli, A.Nangia
Chemical
Name: 2-aminobenzenesulfonamide azepan-2-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.83
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMGUZ01
Authors/Journal
Chemical
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.83
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMHAG
Authors/Journal
Chemical
Formula: C7 H13 N1 O1,C6 H7 N1 O2 S1
Name: benzenesulfonamide azocan-2-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.97
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMHEK
Authors/Journal
Chemical
Name: 4-chlorobenzenesulfonamide azepan-2-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.74
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMHIO
Authors/Journal
Chemical
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.29
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMHOU
Authors/Journal
Chemical
Formula: C6 H11 N1 O1,C6 H6 Br1 N1 O2 S1
Name: 4-bromobenzenesulfonamide azepan-2-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.98
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMHUA
Authors/Journal
Chemical
Name: 2-methylbenzenesulfonamide piperidin-2-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.45
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMJAI
Authors/Journal
Chemical
Formula: C6 H11 N1 O1,C6 H6 Cl1 N1 O2 S1
Name: 2-chlorobenzenesulfonamide azepan-2-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.85
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMJEM
Authors/Journal
Chemical
Name: benzenesulfonamide azepan-2-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.77
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMJIQ
Authors/Journal
Chemical
Name: 4-chlorobenzenesulfonamide piperidin-2-one
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.95
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMJOW
Authors/Journal
Chemical
Formula: C6 H6 Br1 N1 O2 S1,C5 H9 N1 O1
Name: 4-bromobenzenesulfonamide piperidin-2-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.48
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMJUC
Authors/Journal
Chemical
Name: 4-methylbenzenesulfonamide piperidin-2-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.04
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMKAJ
Authors/Journal
Chemical
Name: 2-chlorobenzenesulfonamide piperidin-2-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.35
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMKEN
Authors/Journal
Chemical
Name: benzenesulfonamide piperidin-2-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMZED
Authors/Journal
Authors: E.Jaime-Adan, J.M.German-Acacio, R.A.Toscano, S.Hernandez-
Ortega, J.Valdes-Martinez
Chemical
Name: N-(pentafluorophenyl)-1-(pyridin-4-yl)methanimine 4-
methoxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.55
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUMZON
Authors/Journal
Authors: E.Jaime-Adan, J.M.German-Acacio, R.A.Toscano, S.Hernandez-
Ortega, J.Valdes-Martinez
Chemical
Formula: C12 H5 F5 N2,C9 H11 N1 O2
Name: N-(pentafluorophenyl)-1-(pyridin-4-yl)methanimine 4-
(dimethylamino)benzoic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.17
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUQMUJ
Authors/Journal
Authors: R.Paul, S.J.Bora
Journal: Acta Crystallogr.,Sect.E:Cryst.Commun. , 71, o799, 2015
Chemical
Name: 2,2'-(1,4-phenylene)diacetic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.08
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NURWAB
Authors/Journal
Authors: Jinxu Qi, Wei Zhao, Yunyun Zheng, Ruiya Wang, Qiu Chen, Fu-An
Wang, Weiwei Fan, Huashan Gao, Xichao Xia
Chemical
Formula: C11 H17 N5 S1,0.54(H1 Cl1)
Name: 2-[(3-aminopyridin-2-yl)methylidene]-N,N-diethylhydrazine-1-
carbothioamide hydrogen chloride
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information: anti-tumour activity
Experimental
R-Factor (%): 4.47
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUSCAG
Authors/Journal
Authors: H.D.Arman, R.L.Gieseking, T.W.Hanks, W.T.Pennington
Chemical
Name: 1,3-Dihydro-2H-benzimidazole-2-thione 1,2,3,4-tetrafluoro-5,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUSMIZ
Authors/Journal
Authors: Ming Lou, Shu-Hua Mao, Yang-Hui Luo, Peng Zhao, Bai-Wang Sun
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUSRIE
Authors/Journal
Authors: Xiang-Shan Wang, Jian-Rong Wu, Jie Zhou, Shu-Jiang Tu
Journal: J.Comb.Chem. , 11, 1011, 2009
Chemical
Name: N,N-dimethylformamide 2-amino-4-(3,4-dimethoxyphenyl)-
4a,5,6,7-tetrahydronaphthalene-1,3,3(4H)-tricarbonitrile
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.77
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUSVAZ
Authors/Journal
Authors: D.Kalita, J.B.Baruah
Chemical
Formula: C16 H13 N3 O1,0.5(C4 H4 O4)
Name: 1-Phenyl-3-(quinolin-5-yl)urea hemikis(fumaric acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.09
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUSZUY
Authors/Journal
Authors: J.Tsutsumi, H.Matsui, T.Yamada, R.Kumai, T.Hasegawa
Chemical
Formula: 3(C20 H12),2(C12 F4 N4)
Name: tris(Perylene) bis(2,2'-(2,3,5,6-tetrafluorocyclohexa-2,5-
diene-1,4-diylidene)dimalononitrile )
Synonym: tris(Perylene) bis(2,3,5,6-tetrafluoro-7,7,8,8-
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.32
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: synchrotron; 293.1 K
CCDC Notes:
REFCODE: NUTBAH
Authors/Journal
Authors: J.Tsutsumi, H.Matsui, T.Yamada, R.Kumai, T.Hasegawa
Chemical
Name: 3,3',5,5'-Tetramethylbiphenyl-4,4'-diamine 2,2'-cyclohexa-2,5-
diene-1,4-diylidenedimalononitrile
Synonym: 3,3',5,5'-Tetramethylbenzidine 7,7,8,8-
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.34
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: synchrotron; 293.1 K
CCDC Notes:
REFCODE: NUTBAH04
Authors/Journal
Authors: Y.Takahashi, T.Kondo, S.Yokokura, M.Takehisa, J.Harada,
T.Inabe, M.M.Matsushita, K.Awaga
Chemical
3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diamine
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.86
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUTDAK
Authors/Journal
Authors: Zeyang Ding, Hongxing Shang, Shitong Zhang, Wenkun Han, Bao
Li, Shimei Jiang
Chemical
Name: 2,3-bis[4-(pyridin-4-yl)phenyl]prop-2-enenitrile 1,2,4,5-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.85
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUTDIS
Authors/Journal
Authors: Zeyang Ding, Hongxing Shang, Shitong Zhang, Wenkun Han, Bao
Li, Shimei Jiang
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 2,3-bis[4-(pyridin-4-
yl)phenyl]prop-2-enenitrile
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUVFIV
Authors/Journal
Authors: Ming Lou, Shu-Hua Mao, Yang-Hui Luo, Peng Zhao, Bai-Wang Sun
Chemical
Name: 4-hydroxybenzoic acid pyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUVFIV01
Authors/Journal
Authors: Trishna Rajbongshi, K.K.Sarmah, A.Sarkar, R.Ganduri,
S.Cherukuvada, T.S.Thakur, R.Thakuria
Chemical
Name: 4-hydroxybenzoic acid pyrazine-2-carboxamide
Synonym: pyrazinamide 4-hydroxybenzoic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.74
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUWKEX
Authors/Journal
Authors: B.N.Roy, Girij Pal Singh, D.Srivastava, H.S.Jadhav, M.B.Saini,
U.P.Aher
Chemical
Name: 4-amino-1-(2-(hydroxymethyl)-1,3-oxathiolan-5-yl)pyrimidin-
2(1H)-one 1,1'-binaphthalene-2,2'-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 2.92
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NUYBUF
Authors/Journal
Authors: K.Molcanov, B.Kojic-Prodic
Chemical
Formula: 2(C12 H8 N2),C6 H2 Cl2 O4
Name: bis(Benzo[c]cinnoline) 2,5-dichloro-3,6-dihydroxy-1,4-
benzoquinone
Synonym: bis(5,6-Phenanthroline) chloranilinic acid
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OBEDOP
Authors/Journal
Authors: M.Felderhoff, T.Smolka, R.Sustmann, I.Steller, H.-C.Weiss,
R.Boese
Chemical
Name: meso-1,2-bis(4-Dimethylaminophenyl)-1,2-ethandiol N,N'-bis(4-
pyridylmethylene)ethylenediamine
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OBEDUV
Authors/Journal
Authors: M.Felderhoff, T.Smolka, R.Sustmann, I.Steller, H.-C.Weiss,
R.Boese
Chemical
Name: meso-1,2-bis(4-Methoxyphenyl)-1,2-ethandiol N,N'-bis(4-
methoxycarbonylbenzylidene)ethylenediamine
Synonym:
Source:
Colour:
Extra Information: thermally reversibly photochromic; light-sensitive
Experimental
R-Factor (%): 7.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OCAYUM
Authors/Journal
Authors: H.Ishida, B.Rahman, S.Kashino
Chemical
Name: bis(2-chloro-4-nitrobenzoic acid) pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OCAZAT
Authors/Journal
Authors: H.Ishida, B.Rahman, S.Kashino
Chemical
Name: bis(2-chloro-5-nitrobenzoic acid) pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OCEGEK
Authors/Journal
Authors: Songzhu Lin, Ruokun Jia, Aimin He, Xiaoli Gao
Chemical
Name: Pentane-1,5-dioic acid 2-(pyridin-4-yl)-1H-benzimidazole
Synonym: Glutaric acid 2-(pyridin-4-yl)-1H-benzimidazole
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OCOJAV
Authors/Journal
Authors: B.Varga, P.Szemesi, P.Nagy, R.Herbay, T.Holczbauer, E.Fogassy,
G.Keglevich, P.Bagi
Journal: J.Org.Chem. , , , 2021
Chemical
Name: (S)-(2-methylphenyl)(phenyl)phosphine oxide ((2R,3R)-1,4-
dioxaspiro[4.5]decane-2,3-diyl)bis(diphenylmethanol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.89
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OCOMUO
Authors/Journal
Authors: M.T.Messina, P.Metrangolo, W.Panzeri, T.Pilati, G.Resnati
Chemical
Name: 4,4'-Bipyridyl-N,N'-dioxide 1,4-di-iodotetrafluorobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.96
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OCOMUO01
Authors/Journal
Chemical
Name: 4,4'-Bipyridyl-N,N'-dioxide 1,4-di-iodo-2,3,5,6-
tetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.67
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OCUHEC
Authors/Journal
Authors: Xiurong Hu
Chemical
Name: 4-hydroxybenzamide 5-fluoro-1-(tetrahydrofuran-2-
yl)pyrimidine-2,4(1H,3H)-dione
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODAQOC
Authors/Journal
Authors: A.D.Herrera-Espana, G.Campillo-Alvarado, P.Roman-Bravo,
D.Herrera-Ruiz, H.Hopfl, H.Morales-Rojas
Chemical
Formula: C44 H32 B2 N2 O4,C14 H10
Name: (mu-1,2-bis(4-pyridinio)ethene)-diphenyl-bis(naphthalene-2,3-
diolato)diborate anthracene
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODEGIO
Authors/Journal
Authors: T.Hokelek, D.D.Gunbas, F.Algi, M.Balci
Chemical
Formula: C8 H6 Br6,C8 H4 Br6
Name: (1R,3S,4S,6R)-1,2,3,4,5,6-hexabromo-1,2,3,4,5,6-
hexahydropentalene (1R,2R,4S,5S)-1,2,3,4,5,6-hexabromo-1,2,4,5-tetrahydropentalene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 12.33
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODEHOU
Authors/Journal
Authors: M.L.Highfill, A.Chandrasekaran, D.E.Lynch, D.G.Hamilton
Chemical
Formula: 2(C10 H19 N5),C10 H4 N2 O4
Name: bis(2,4-Di-n-propylamino-6-methyl-s-triazine) pyromellitic
diimide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODIDAJ
Authors/Journal
Authors: K.K.Sarmah, K.Boro, M.Arhangelskis, R.Thakuria
Chemical
Name: 3,5-dihydroxybenzoic acid 2-ethoxybenzamide
Synonym: Ethenzamide 3,5-dihydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.38
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODIDIR
Authors/Journal
Authors: K.K.Sarmah, K.Boro, M.Arhangelskis, R.Thakuria
Chemical
Name: 3-(4-hydroxy-3-methoxyphenyl)acrylic acid 2-ethoxybenzamide
Synonym: Ethenzamide Ferulic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.11
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODIPUP
Authors/Journal
Authors: A.Carletta, M.Zbacnik, M.Vitkovic, N.Tumanov, V.Stilinovic,
J.Wouters, D.Cincic
Chemical
Name: 1,3,5-trifluoro-2,4,6-triiodobenzene 2-[(1E)-[(pyridin-3-
yl)imino]methyl]phenol
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 2.47
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODIQAW
Authors/Journal
J.Wouters, D.Cincic
Chemical
Name: bis(2-{[(pyridin-3-yl)imino]methyl}phenol) 1,3,5-trifluoro-
2,4,6-triiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODIQIE
Authors/Journal
J.Wouters, D.Cincic
Chemical
Name: 1,2,3,5-tetrafluoro-4,6-diiodobenzene 2-[(1E)-[(pyridin-3-
yl)imino]methyl]phenol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.23
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODIQOK
Authors/Journal
J.Wouters, D.Cincic
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene bis(2-[(1E)-[(pyridin-3-
yl)imino]methyl]phenol)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.99
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODISOJ
Authors/Journal
Authors: M.Taniguchi, S.Mataka, T.Thiemann, T.Sawada, K.Mimura,
Y.Mitoma
Chemical
Formula: 2(C21 H24),C6 N4
Name: bis(11,11-Dimethyl-3,4:8,9-dibenzobicyclo(4.4.1)undec-3,8-
diene) tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour: purple
Extra Information:
Experimental
R-Factor (%): 7.64
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODISOJ01
Authors/Journal
Authors: F.H.Herbstein, Shengzhi Hu, M.Kapon
Chemical
Formula: 2(C21 H24),C6 N4
Name: bis(11,11-Dimethyl-3,4:8,9-dibenzobicyclo(4.4.1)undeca-3,8-
diene) tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODITAW
Authors/Journal
Authors: M.Taniguchi, S.Mataka, T.Thiemann, T.Sawada, K.Mimura,
Y.Mitoma
Chemical
Formula: C20 H20,1.5(C6 N4)
Name: 11-Methylidene-3,4:8,9-dibenzobicyclo(4.4.1)undeca-3,8-diene
sesquikis(tetracyanoethylene)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.43
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODOBIT
Authors/Journal
Authors: B.R.Sreekanth, P.Vishweshwar, K.Vyas
Chemical
Name: bis(4-Hydroxybenzoic acid) 2,3,5,6-tetramethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODOBIT01
Authors/Journal
Authors: B.R.Sreekanth, P.Vishweshwar, K.Vyas
Chemical
Name: bis(4-Hydroxybenzoic acid) 2,3,5,6-tetramethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODOHEV
Authors/Journal
Authors: C.Lopez, R.M.Claramunt, M.A.Garcia, E.Pinilla, M.R.Torres,
I.Alkorta, J.Elguero
Chemical
Name: bis(2-Hydroxybenzoic acid) 3,5-dimethyl-1H-pyrazole
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ODOHIZ
Authors/Journal
Authors: C.Lopez, R.M.Claramunt, M.A.Garcia, E.Pinilla, M.R.Torres,
Chemical
Name: 2-Hydroxybenzoic acid bis(3,5-dimethyl-1H-pyrazole)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OFEGEO
Authors/Journal
Authors: Bo Lu, Yujian Zhang, Xiaogang Yang, Kai Wang, Bo Zou, Dongpeng
Yan
Chemical
Name: bis(2,3,5,6-tetrafluoro-4-hydroxybenzoic acid) 2,2'-(1,4-
phenylene)bis(3-phenylprop-2-enenitrile)
Synonym:
Source:
Colour: green
Extra Information: Luminescent, This cocrystal exhibits fluorescence emission at
458nm under ultraviolet excitation; Light-sensitive
Experimental
R-Factor (%): 4.56
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OFOKEA
Authors/Journal
Authors: P.Sudhakar, R.Srivijaya, B.R.Sreekanth, P.K.Jayanthi,
P.Vishweshwar, J.M.Babu, K.Vyas, J.Iqbal
Chemical
Name: 4,4'-Bipyridine bis(DL-hydroxyphenylacetic acid)
Synonym: 4,4'-Bipyridine bis(mandelic acid)
Source:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OFOKIE
Authors/Journal
Chemical
Formula: C10 H8 N2,2(C11 H7 Br1 O2)
Name: 4,4'-Bipyridine bis(4-bromonaphthalene-1-carboxylic acid)
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OFOKOK
Authors/Journal
Chemical
Name: 4,4'-Bipyridine bis(4-methylbenzoic acid)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OFUGUR
Authors/Journal
Authors: I.Takahashi, M.Takahashi, T.Morita, T.Keumi, H.Kitajima,
M.Wagi, M.Hatanaka, T.Ohta, S.Hosoi
Chemical
Name: 2-Pyridone 4-nitrophenol
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGAGUY
Authors/Journal
Authors: V.S.S.Kumar, A.Nangia, A.K.Katz, H.L.Carrell
Chemical
Formula: 2(C7 H5 N1 O5),C4 H8 O2 S2
Name: bis(5-Nitrosalicylic acid) trans-1,4-dithiane-1,4-dioxide
Synonym:
Source:
Melting Point: 505K
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 293
Density (CCDC): 1.6
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGAHEJ
Authors/Journal
Authors: V.S.S.Kumar, A.Nangia, A.K.Katz, H.L.Carrell
Chemical
Name: 3,5-Dinitrosalicylic acid trans-1,4-dithiane-1,4-dioxide
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGAREV
Authors/Journal
Authors: S.P.Fisher, E.W.Reinheimer
Chemical
Name: Benzene-1,2,4,5-tetracarbonitrile 2-([1,3]dithiolo[4,5-d]
[1,3]dithiol-2-ylidene)[1,3]dithiolo[4,5-d][1,3]dithiole
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.44
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGEPIA
Authors/Journal
Authors: Jin-Hua Qin, Er-Jun Hao, Jian-Ge Wang
Chemical
Name: 1,3-Di-4-pyridylpropane 2-hydroxybenzene-1,4-dicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.64
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGEPOG
Authors/Journal
Authors: Jian-Ge Wang, Jian-Hua Qin
Chemical
Name: 4-(2-Carboxybenzoyl)benzoic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGEZIJ
Authors/Journal
Authors: M.A.Sridhar, N.K.Lokanath, J.S.Prasad, A.Pasha
Journal: Mol.Cryst.Liq.Cryst.Sci.Technol.,Sect.A , 369, 153, 2001
Chemical
Name: 3,5,6-Trichloro-2-pyridinol piperazine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.62
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: OGEZOP
Authors/Journal
Authors: M.A.Sridhar, N.K.Lokanath, J.S.Prasad, A.Pasha
Chemical
Name: 3,5,6-Trichloro-2-pyridinol piperidine
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: OGIWOS
Authors/Journal
E.Espinosa
Chemical
Name: N-Iodosuccinamide pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGIWOS01
Authors/Journal
Chemical
Name: 1-iodopyrrolidine-2,5-dione pyridine
Synonym: N-Iodosuccinamide pyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.55
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGIWOS02
Authors/Journal
Chemical
Name: 1-iodopyrrolidine-2,5-dione pyridine
Synonym: N-Iodosuccinamide pyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.07
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGIYEK
Authors/Journal
Authors: B.Sridhar, J.B.Nanubolu, K.Ravikumar
Chemical
Name: 5-Methylpyrimidine-2,4(1H,3H)-dione benzene-1,2-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.11
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGIYIO
Authors/Journal
Chemical
Name: bis(5-Methylpyrimidine-2,4(1H,3H)-dione) benzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.18
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGIYOU
Authors/Journal
Chemical
Name: bis(5-Methylpyrimidine-2,4(1H,3H)-dione) benzene-1,4-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGIYUA
Authors/Journal
Chemical
Name: 5-Methylpyrimidine-2,4(1H,3H)-dione bis(benzene-1,2,3-triol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OGUTAN01
Authors/Journal
Authors: S.P.Thomas, S.P.K.P.Veccham, L.J.Farrugia, T.N.Guru Row
Chemical
Name: 4-Aminobenzoic acid 4-amino-N-(5-methyl-1,3,4-thiadiazol-
2(3H)-ylidene)benzenesulfonamide
Synonym: 4-Aminobenzoic acid sulfamethizole
Source:
Melting Point:
Colour: pale yellow
Extra Information: sulfamethizole is a sulfonamide antibiotic
Experimental
R-Factor (%): 4.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJALOD
Authors/Journal
Authors: Lingtai Jiao
Chemical
Name: bis(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)ethenyl]benzoic acid) tetramethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJEGIW
Authors/Journal
Authors: I.G.Grosu, Lidia Pop, M.Miclaus, N.D.Hadade, A.Terec, A.Bende,
C.Socaci, M.Barboiu, I.Grosu
Chemical
Name: 4,4'-(9H-fluorene-2,7-diyl)dipyridine 1,4-di-iodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 9.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJEGOC
Authors/Journal
Chemical
Name: 4,4'-(9H-fluorene-2,7-diyl)dipyridine 1,2,3,5-tetrafluoro-4,6-
di-iodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 8.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJEGUI
Authors/Journal
Chemical
di-iodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJEHAP
Authors/Journal
Chemical
di-iodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 9.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJENIA
Authors/Journal
Authors: Ting Wai Lee, J.P.K.Lau, L.Szeto
Chemical
Name: Diphenic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.61
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJEPEY
Authors/Journal
Authors: M.Alagar, R.V.Krishnakumar, K.Rajagopal, M.S.Nandhini,
S.Natarajan
Chemical
Name: L-Phenylalanine fumaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [EDAXIQ], [VAGVIJ]; for racemate see
[VIKLOR]
Experimental
R-Factor (%): 3.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJIHOG
Authors/Journal
Authors: C.B.Aakeroy, T.K.Wijethunga, J.Desper, M.akovic
Chemical
Name: 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane 4-(1H-
imidazol-1-ylmethyl)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJOBIB01
Authors/Journal
Authors: R.Bhowal, A.A.Balaraman, M.Ghosh, S.Dutta, K.K.Dey, D.Chopra
Chemical
Name: 1,3,5-tris(4-aminophenyl)benzene bis(benzene-1,2,4,5-
tetracarbonitrile)
Synonym:
Source:
Colour: dark orange
Extra Information:
Experimental
R-Factor (%): 6.17
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJOCEY01
Authors/Journal
Chemical
Name: 3,5-dinitrobenzonitrile 3,3',5,5'-tetramethyl[1,1'-biphenyl]-
4,4'-diamine
Synonym:
Source:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 5.34
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJOCOI01
Authors/Journal
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 3,3',5,5'-tetramethyl[1,1'-
biphenyl]-4,4'-diamine
Synonym:
Source:
Colour: dark orange
Extra Information:
Experimental
R-Factor (%): 5.26
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJOCOI02
Authors/Journal
Authors: J.A.Starnes, E.W.Reinheimer
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 3,3',5,5'-tetramethyl[1,1'-
biphenyl]-4,4'-diamine
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OJUBOM
Authors/Journal
Authors: P.Nandy
Chemical
Name: bis(6-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine)
pentanedioic acid
Synonym: bis(2,4-Diamino-6-(4-chlorophenyl)-1,3,5-triazine) glutaric
acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.54
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OKEGOC
Authors/Journal
Authors: Jia-Jia Zhao, Man Tang, Hong-Hao Zhang, Meng-Meng Xu, Feng Shi
Chemical
Name: 2,2'-(disulfanediyldi-2,1-phenylene)dipropan-2-ol 2-(2-((2-
hydroxy-2-phenylethyl)sulfanyl)phenyl)propan-2-ol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.08
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OKIHOH
Authors/Journal
Authors: O.Prajina, P.Thomas Muthiah, F.Perdih
Chemical
Formula: C13 H9 N1,C5 H3 Cl1 O2 S1
Name: 3-chlorothiophene-2-carboxylic acid acridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OKIRAB
Authors/Journal
Authors: K.Tanaka, M.Kato, F.Toda
Chemical
Name: (R,R)-(-)-trans-1,2-Diaminocyclohexane benzene-1,4-diol
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OKOMAE
Authors/Journal
Authors: Xun Feng, Ai-Qin Tian, Cai-Lu Wang, Yang Wang
Chemical
Name: bis(2-(((2,4-dinitrophenyl)hydrazono)methyl)-4-nitrophenol)
triethylamine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.22
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OKOSEP
Authors/Journal
Authors: Yanning Han, Tong Zhang, Qiao Chen, Xinyu Chen, Pengchong Xue
Chemical
Name: benzene-1,3,5-tricarboxylic acid 4,4'-[anthracene-9,10-
diylbis(ethene-2,1-diyl)]dipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.11
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OLIHUO01
Authors/Journal
Authors: Yann Le Gal, M.Rajkumar, A.Vacher, V.Dorcet, T.Roisnel,
M.Fourmigue, F.Barriere, T.Guizouarn, D.Lorcy
Chemical
Formula: C16 H10 N6 S4,C10 H12 S4
Name: (5-(2-(Dicyanomethylene)-3-ethyl-4-sulfanylidene-1,3-
thiazolidin-5-ylidene)-3-ethyl-4-sulfanylidene-1,3-thiazolidin-2-
ylidene)malononitrile 2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,5-dimethyl-1,3-
dithiole
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OLOBAS
Authors/Journal
Authors: I.I.Padilla-Martinez, E.V.Garcia-Baez, H.Hopfl, F.J.Martinez-
Martinez
Chemical
Name: 2-Amino-1,3-benzothiazole ethyl coumarin-3-carboxylate
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.97
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OMACAJ
Authors/Journal
Authors: V.Palanisamy, P.Sanphui, V.G.S.S.Jyothi, N.R.Shastri, G.Bolla,
K.Palanisamy, M.Prakash, V.R.Vangala
Chemical
Name: 4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-oxathiolan-5-
yl]pyrimidin-2(1H)-one azepan-2-one
Synonym: Emtricitabine-caprolactam
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OMAXEF
Authors/Journal
Authors: K.Kato, K.Aburaya, Y.Miyake, K.Sada, N.Tohnai, M.Miyata
Chemical
Name: 3-Epideoxycholic acid (2R,3S)-3-methyl-2-pentanol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.56
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OMELAV
Authors/Journal
Authors: A.Cvetkovski, V.Bertolasi, V.Ferretti
326, 2016
Chemical
Name: Benzene-1,3,5-triol tris(2,6-dimethylpyrimidin-4(3H)-one)
Synonym: Phloroglucinol tris(2,6-dimethylpyrimidin-4(3H)-one)
Source:
Melting Point:
Colour: colorless
Extra Information: phloroglucinol is an antispasmodic agent
Experimental
R-Factor (%): 6.09
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OMELEZ
Authors/Journal
326, 2016
Chemical
Name: Benzene-1,3,5-triol bis(4-phenylpyridine)
Synonym: Phloroglucinol bis(4-phenyl-pyridine)
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.84
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OMELID
Authors/Journal
326, 2016
Chemical
Name: Benzene-1,3,5-triol bis(pyridin-2(1H)-one)
Synonym: Phloroglucinol bis(pyridin-2(1H)-one)
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.93
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OMESOP
Authors/Journal
Authors: Chang-Kun Xia, Yun-Long Wu, Ji-Min Xie
Chemical
Name: hemikis(Terephthalic acid) 2-(pyridin-4-yl)-1H-benzimidazole
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 5.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ONAPUP
Authors/Journal
Chemical
Name: 1,2-bis(4-Pyridyl)ethane bis(2-chlorobenzoic acid)
Synonym: 4,4'-Ethane-1,2-diyldipyridine bis(2-chlorobenzoic acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ONAQAW
Authors/Journal
Chemical
Name: 1,2-bis(4-Pyridyl)ethane bis(4-methylbenzoic acid)
Synonym: 4,4'-Ethane-1,2-diyldipyridine bis(4-methylbenzoic acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ONAQIE
Authors/Journal
Chemical
Name: 1,2-bis(4-Pyridyl)ethane phthalic acid
Synonym: 4,4'-Ethane-1,2-diyldipyridine benzene-1,2-dicarboxylic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ONODAY
Authors/Journal
Authors: U.B.Rao Khandavilli, M.Lusi, B.R.Bhogala, A.R.Maguire,
M.Stein, S.E.Lawrence
Chemical
Name: salicylic acid 3-methyl-2-phenylbutanamide
Synonym: salicylic acid 3-methyl-2-phenylbutyramide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.64
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ONODAY02
Authors/Journal
Authors: U.B.Rao Khandavilli, M.Lusi, B.R.Bhogala, A.R.Maguire,
M.Stein, S.E.Lawrence
Chemical
Name: salicylic acid 3-methyl-2-phenylbutanamide
Synonym: salicylic acid 3-methyl-2-phenylbutyramide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.27
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OPNTEA10
Authors/Journal
Authors: N.W.Alcock, W.D.Harrison
Chemical
Formula: 2(C12 H11 N1 O4 Te1),C48 H40 N4 O14 Te4
Name: bis((mu!2$-Oxo)-(mu!2$-nitrato-O,O'))-(dinitrato-O)-
octaphenyl-tetra-tellurium(iv) hydroxy-nitrato-diphenyl-tellurium(iv)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: OPUKUH
Authors/Journal
Authors: M.K.Corpinot, S.A.Stratford, M.Arhangelskis, J.Anka-Lufford,
I.Halasz, N.Judas, W.Jones, D.-K.Bucar
Chemical
Name: 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 2,4,5-
trifluorobenzoic acid
Synonym: theophylline 2,4,5-trifluorobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.75
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OPUKUH01
Authors/Journal
Chemical
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.56
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OPULES
Authors/Journal
Chemical
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.49
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OQEDOG
Authors/Journal
Authors: Yanhong Zhang, Bin Zhu, Wei-Jie Ji, Chun-Yang Guo, Minghuang
Hong, Ming-Hui Qi, Guo-Bin Ren
Chemical
4-one 4,4'-(ethene-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.59
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OQEFOH
Authors/Journal
Authors: M.Girisha, H.S.Yathirajan, J.P.Jasinski, C.Glidewell
Chemical
Name: 3,5-dinitrobenzoic acid 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-
yl)benzenesulfonamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.74
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OQIFAX
Authors/Journal
Authors: Jan Janczak
Chemical
Name: 1,3,5-triazine-2,4,6-triamine bis((3-chlorophenyl)acetic acid)
Synonym: melamine bis((3-chlorophenyl)acetic acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.22
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OQIFEB
Authors/Journal
Chemical
Name: 1,3,5-triazine-2,4,6-triamine bis((4-chlorophenyl)acetic acid)
Synonym: melamine bis((4-chlorophenyl)acetic acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.11
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ORIKIL
Authors/Journal
Authors: V.M.Hariprasad, S.K.Nechipadappu, D.R.Trivedi
Chemical
Name: 3,4,5-trihydroxybenzoic acid bis(2-ethoxybenzamide)
Synonym: bis(ethenzamide) gallic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.82
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ORIKOR
Authors/Journal
Chemical
Name: 2-nitrobenzoic acid 2-ethoxybenzamide
Synonym: ethenzamide 2-nitrobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.19
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ORIKUX
Authors/Journal
Chemical
Name: 3-nitrobenzoic acid 2-ethoxybenzamide
Synonym: ethenzamide 3-nitrobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.42
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ORILAE
Authors/Journal
Chemical
Name: 2,4-dinitrobenzoic acid 2-ethoxybenzamide
Synonym: ethenzamide 2,4-dinitrobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.03
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ORILEI
Authors/Journal
Chemical
Name: 3-methylbenzoic acid 2-ethoxybenzamide
Synonym: ethenzamide 3-toluic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.91
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OROWEY
Authors/Journal
Authors: W.M.Singh, J.B.Baruah
Chemical
Formula: C13 H10 O4 S1,0.5(C10 H8 N2)
Name: ((3-Methyl-1,4-dioxo-1,4-dihydronaphthalen-2-
yl)sulfanyl)acetic acid hemikis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 8.19
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OROWOI
Authors/Journal
Authors: W.M.Singh, J.B.Baruah
Chemical
Formula: C18 H15 O1 P1,0.5(C14 H10 O6 S2)
Name: hemikis(2,2'-((1,4-Dioxo-1,4-dihydronaphthalene-2,3-
diyl)disulfanediyl)diacetic acid) triphenylphosphine oxide
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.68
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ORUXOP
Authors/Journal
Authors: S.Cherukuvada, N.J.Babu, A.Nangia
Chemical
Name: 1-(((5-Nitro-2-furyl)methylene)amino)imidazolidine-2,4-dione
4-aminobenzoic acid
Synonym: Nitrofurantoin 4-aminobenzoic acid
Source:
Melting Point: 483 K (dec.)
Colour: red
Extra Information: Nitrofurantoin is an anti-bacterial drug
Experimental
R-Factor (%): 3.82
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OSELEG
Authors/Journal
Authors: E.Uran, L.Fotovic, N.Bedekovic, V.Stilinovic, D.Cincic
Chemical
Name: benzene-1,4-diamine 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 2.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OSELIK
Authors/Journal
Chemical
Name: 3,3'-dimethyl[1,1'-biphenyl]-4,4'-diamine 1,2,4,5-tetrafluoro-
3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OSELUW
Authors/Journal
Chemical
Name: [1,1'-biphenyl]-4,4'-diamine bis[1,2,3,5-tetrafluoro-4,6-
diiodobenzene]
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OSEMAD
Authors/Journal
Chemical
Name: [1,1'-biphenyl]-4,4'-diamine tetrakis[1,3,5-trifluoro-2,4,6-
triiodobenzene]
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.97
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OTIYUM
Authors/Journal
Authors: J.Marti-Rujas, B.M.Kariuki, C.E.Hughes, A.Morte-Rodenas, Fang
Guo, Z.Glavcheva-Laleva, K.Tastemur, Li-ling Ooi, Lily Yeo, K.D.M.Harris
Chemical
Name: hexane-1,6-diol bis(urea)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.06
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OTIZAT
Authors/Journal
Chemical
Name: octane-1,8-diol bis(urea)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.12
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OTIZEX
Authors/Journal
Chemical
Name: decane-1,10-diol bis(urea)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.45
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OTIZIB
Authors/Journal
Chemical
Name: dodecane-1,12-diol bis(urea)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.58
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OTIZOH
Authors/Journal
Chemical
Name: tetradecane-1,14-diol bis(urea)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OTIZUN
Authors/Journal
Chemical
Name: hexadecane-1,16-diol bis(urea)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.56
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OVIJIN
Authors/Journal
Authors: P.Barczynski, Z.Dega-Szafran, A.Katrusiak, M.Szafran
Chemical
Name: 4-Aza-1-azoniabicyclo[2.2.2]oct-1-ylacetate 4-hydroxybenzoic
acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OVIVAR
Authors/Journal
Authors: C.E.Rowland, P.M.Cantos, B.H.Toby, M.Frisch, J.R.Deschamps,
C.L.Cahill
Chemical
Name: 2,2'-Disulfanediyldibenzoic acid 2-sulfanylbenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.33
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OVUFOB
Authors/Journal
Authors: A.Lemmerer, D.A.Adsmond, J.Bernstein
Chemical
Name: 3-Hydroxybenzoic acid bis(triphenylphosphine oxide)
Synonym: m-Hydroxybenzoic acid bis(triphenylphosphine oxide)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OVUFUH
Authors/Journal
Chemical
Name: (RS)-Mandelic acid acridine
Synonym: rac-Hydroxy(phenyl)acetic acid acridine
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 4.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OWAVUE
Authors/Journal
Authors: S.J.Bethune, N.Schultheiss, J.-O.Henck
Chemical
Formula: C16 H16 O3,0.5(C4 H10 N2)
Name: 4-(2-(3,5-Dimethoxyphenyl)vinyl)phenol piperazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.45
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes: U.S. Patent: US 8318807 B2
REFCODE: OXBDOC
Authors/Journal
Authors: E.Damm, O.Hassel, C.Romming
Chemical
Formula: C2 Br2 O2,C4 H8 O2
Name: Oxalyl bromide-1,4-dioxane complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: OXCDOC
Authors/Journal
Authors: E.Damm, O.Hassel, C.Romming
Chemical
Formula: C2 Cl2 O2,C4 H8 O2
Name: Oxalyl chloride-1,4-dioxane complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: OXEMEL
Authors/Journal
Authors: S.Adhikari, T.Kar, S.K.Seth
Chemical
Name: bis(2-ammonio-3-methylbutanoate) fumaric acid
Synonym: bis(valine) fumaric acid
Source:
Melting Point:
Colour:
Extra Information: for stereoisomer see [VIKLUX]; for racemate see [HAGYEU]
Experimental
R-Factor (%): 3.14
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OXICIJ02
Authors/Journal
Authors: B.Saikia, R.Khatioda, P.Bora, B.Sarma
Chemical
Formula: C10 H10 O4,0.5(C10 H8 N2 O2)
Name: 3-(4-hydroxy-3-methoxyphenyl)acrylic acid hemikis(4,4'-
bipyridine 1,1'-dioxide)
Synonym:
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 5.27
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OXIDEG02
Authors/Journal
Authors: B.Saikia, R.Khatioda, P.Bora, B.Sarma
Chemical
Name: 4-amino-N-(1,3-thiazol-2(3H)-ylidene)benzenesulfonamide 4,4'-
bipyridine 1,1'-dioxide
Synonym:
Source:
Melting Point:
Colour: gold
Extra Information:
Experimental
R-Factor (%): 5.48
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OXOHIU
Authors/Journal
Authors: Jian-Rong Wang, Junjie Bao, Xiaowu Fan, Wenjuan Dai, Xuefeng
Mei
Chemical
Name: tris(nicotinamide) 5-(1,2-dihydroxyethyl)-3,4-dihydroxyfuran-
2(5H)-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.25
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OXSELI
Authors/Journal
Authors: H.Maddox, J.D.McCullough
Chemical
Formula: C4 H8 O1 Se1,I2
Name: 1,4-Oxaselenane iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: OXUDIW
Authors/Journal
Authors: S.Rashid, B.A.Bhat, S.Sen, G.Mehta
Chemical
Name: bis(5,6,10,11-tetrahydroxy-3,12,14-
trioxatetracyclo[5.4.3.0$1,7!.0$2,4!]tetradec-8-en-13-one) 2-(tetrahydrofuran-2-
ylperoxy)tetrahydrofuran
Synonym: bis((1S*,2S*,4S*,5R*,6S*,7R*,10R*,11S*)-5,6,10,11-
tetrahydroxy-3,12,14-trioxatetracyclo[5.4.3.0$1,7!.0$2,4!]tetradec-8-en-13-one)
2,2'-peroxybis(tetrahydrofuran)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.14
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OXULOL
Authors/Journal
Authors: Si-Si Wang, Kechang Li, Xiaohui Ma, Pengchong Xue
Chemical
Name: 9,9'-(butane-1,4-diyl)bis(9H-carbazole) bis(benzene-1,2,4,5-
tetracarbonitrile)
Synonym:
Source:
Melting Point:
Colour: red
Experimental
R-Factor (%): 4.77
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OYADAV
Authors/Journal
Authors: Yanlei Kang, Jianming Gu, Xiurong Hu
Chemical
Name: 2-(3-cyano-4-isobutoxyphenyl)-4-methyl-1,3-thiazole-5-
carboxylic acid isonicotinamide
Synonym:
Source:
Colour: yellow
Extra Information: Deliquescent
Experimental
R-Factor (%): 4.89
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OYADUQ
Authors/Journal
Authors: N.S.Rukk, R.S.Shamsiev, D.V.Albov, S.N.Mudretsova
Journal: Tonkie Khimicheskie Tekhnologii(Fine Chemical Technology) ,
16, 113, 2021
Chemical
Name: 5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 3-methyl-1-
phenyl-1H-pyrazol-5-ol
Synonym:
Source:
Colour: colorless
Extra Information: air-stable
Experimental
R-Factor (%): 3.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OYEREQ01
Authors/Journal
Chemical
Name: bis(Cytosine) adipic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.08
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OYIBOP
Authors/Journal
Authors: L.L.Tolstikova, I.V.Sterkhova, B.A.Shainyan
Chemical
Formula: C1 H1 F3 O3 S1,C1 H4 N2 O1
Name: trifluoromethanesulfonic acid urea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.95
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OYIHEM
Authors/Journal
Authors: R.Seera, S.Cherukuvada, T.N.G.Row
Chemical
Name: 2,3,4,5-tetrafluorobenzoic acid benzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OYUWUD01
Authors/Journal
Authors: X.Buol, K.Robeyns, C.C.Garrido, N.Tumanov, L.Collard,
Chemical
Name: N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide 5-
nitrobenzene-1,3-dicarboxylic acid
Synonym: nefiracetam 5-nitroisophthalic acid
Source:
Colour: colorless
Extra Information: Nefiracetam is a nootropic compound
Experimental
R-Factor (%): 2.95
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OYUXAK
Authors/Journal
Chemical
hydroxybenzoic acid
Synonym: nefiracetam 4-hydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.39
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OYUXIS
Authors/Journal
Chemical
cyanobenzene-1,3-dicarboxylic acid
Synonym: nefiracetam 5-cyanoisophthalic acid
Source:
Colour: colorless
Experimental
R-Factor (%): 4.04
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OYUXOY
Authors/Journal
Chemical
benzoylbenzoic acid
Synonym: nefiracetam 2-benzoylbenzoic acid
Source:
Colour: colorless
Experimental
R-Factor (%): 4.42
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OYUXUE
Authors/Journal
Chemical
Name: N-(2,6-dimethylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide (RS)-
2-hydroxy-3-phenylpropanoic acid
Synonym: nefiracetam (RS)-3-phenyllactic acid
Source:
Colour: colorless
Experimental
R-Factor (%): 6.19
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OYUYEP
Authors/Journal
Chemical
hydroxybenzene-1,3-dicarboxylic acid
Synonym: nefiracetam 5-hydroxyisophthalic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.16
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OZOPIF
Authors/Journal
Authors: T.Shinozaki, M.Ono, K.Higashi, K.Moribe
Chemical
Name: 9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-oxo-2,3-
dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid N-(3-
hydroxyphenyl)acetamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: OZOSED
Authors/Journal
Chemical
Name: N-hydroxy-1-(quinolin-4-yl)methanimine 2-methylbenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.55
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PABBAV
Authors/Journal
Authors: I.Majerz, Z.Malarski, W.Sawka-Dobrowolska
Chemical
Name: 4-Acetylpyridine pentachlorophenol
Synonym:
Source:
Melting Point: 90.5 deg.C(dec.)
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PABNIR
Authors/Journal
Authors: M.R.Chierotti, L.Ferrero, N.Garino, R.Gobetto, L.Pellegrino,
D.Braga, F.Grepioni, L.Maini
Chemical
Formula: 0.5(C4 H4 N2 O2 S1),0.5(C4 H4 N2 O2 S1)
Name: hemikis(6-hydroxy-2-thioxo-2,3-dihydropyrimidin-4(1H)-one 2-
thioxodihydropyrimidine-4,6(1H,5H)-dione)
Synonym: 2-Thiobarbituric acid
Source:
Melting Point:
Colour: colorless
Extra Information: for isomer see [PABNAJ]
Experimental
R-Factor (%): 4.51
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PABTOD
Authors/Journal
Authors: Guang-Xiong Zhou, Shun-Yan Mo, Hui-Xiao He, Jian-Gong Shi,
Wen-Cai Ye, Zhong Liu, Ren-Wang Jiang
Chemical
Name: 5,8,12,14,20,23,25,28-Octahydroxy-6,21-
dimethyloctacyclo[14.11.1.0$2,11!.0$2,15!.0$4,9!.0$13,17!.0$17,26!.0$19,24!]octacos
a-4,6,8,11,19,21,23,25-octaene-3,10,18,27-tetrone 8,12,14,23,25,28-hexahydroxy-
6,21-
dimethyloctacyclo[14.11.1.0$2,11!.0$2,15!.0$4,9!.0$13,17!.0$17,26!.0$19,24!]octacos
a-4,6,8,11,19,21,23,25-octaene-3,10,18,27-tetrone
Synonym: Isorugulosin isoluteoskyrin
Source: Myrothecium species
Melting Point:
Colour: brown
Extra Information: cytotoxic activity
Experimental
R-Factor (%): 6.52
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PAHYUT
Authors/Journal
Authors: T.Fukunaga, S.Kashino, H.Ishida
Chemical
Name: 2-Pyridone tartronic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PAJFAI
Authors/Journal
Authors: Zhi-Min Jin, Chen-Shui Lin, Hai-Bin Wang, Mao-Lin Hu, Liang
Shen, Liang-Ren Huang
Chemical
Name: 5-Methyl-1,3-benzenediol 1,4-diazabicyclo(2.2.2)octane
Synonym: Orcin 1,4-diazabicyclo(2.2.2)octane
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PAJPIZ
Authors/Journal
Authors: E.Gunther, S.Hunig, J.-U.von Schutz, U.Langohr, H.Rieder,
S.Soderholm, H.-P.Werner, K.Peters, H.G.von Schnering, H.J.Lindner
Journal: Chem.Ber. , 125, 1919, 1992
Chemical
Formula: C8 Br2 N4 S2,C10 H12 Se4
Name: 3,6-Dibromo-2,5-bis(cyanoimino)-2,5-dihydrothieno(3,2-
b)thiophene 2-(4,5-dimethyl-1,3-diselenol-2-ylidene)-4,5-dimethyl-1,3-diselenole
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PALBOU
Authors/Journal
Chemical
Name: (4R,5R)-4,5-bis(di-4-methylphenylhydroxymethyl)-2,2-dimethyl-
1,3-dioxolane (R)-1-phenylethanamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [MAJYEC]
Experimental
R-Factor (%): 7.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PALBUA
Authors/Journal
Chemical
Name: bis((4R,5R)-4,5-bis(di-4-methylphenylhydroxymethyl)-2,2-
dimethyl-1,3-dioxolane) (1R,2R)-2-methoxycyclohexanol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PALCAH
Authors/Journal
Chemical
Formula: C38 H42 O4,0.5(C3 H6 O3)
Name: (2R,3R)-2,3-bis(di-4-methylphenylhydroxymethyl)-1,4-
dioxaspiro(4.5)decane (S)-2-hydroxypropanoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.01
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PALCIP
Authors/Journal
Chemical
Formula: C7 H8 O1 S1,C15 H16 O2
Name: (S)-1,1-diphenylpropane-1,2-diol S-methylphenylsulfoxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.62
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PALLIA
Authors/Journal
Authors: N.N.Pati, B.Sathish Kumar, B.Chandra, P.K.Panda
Chemical
Formula: C28 H28 Br2 N4,2(C28 H28 Br2 N4)
Name: bis(14,19-dibromo-3,4,9,10-tetraethyl-21,22,23,24-
tetraazapentacyclo[16.2.1.1$2,5!.1$8,11!.1$12,15!]tetracosa-
1(21),2,4,6,8(23),9,11,13,15,17,19-undecaene) 9,19-dibromo-3,4,13,14-tetraethyl-
21,22,23,24-tetraazapentacyclo[16.2.1.1$2,5!.1$8,11!.1$12,15!]tetracosa-
1(21),2,4,6,8(23),9,11,13,15,17,19-undecaene
Synonym:
Source:
Melting Point:
Colour: blue
Extra Information:
Experimental
R-Factor (%): 7.78
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PALXND10
Authors/Journal
Authors: M.C.Kuo, J.B.R.Dunn, C.J.Fritchie Junior
1766, 1974
Chemical
Name: 10-n-Propylisoalloxazine bis(naphthalene-2,3-diol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: C23 y -0.6178, not -0.3178. C9 z 0.1645, not 0.01645. O16 z -
0.03102, not 0.03 102
REFCODE: PAMQAX
Authors/Journal
Authors: R.A.E.Castro, J.D.B.Ribeiro, T.M.R.Maria, M.R.Silva, C.Yuste-
Vivas, J.Canotilho, M.E.S.Eusebio
Chemical
Name: 2-(6-Methoxy-2-naphthyl)propanoic acid isonicotinamide
Synonym: Naproxen isonicotinamide
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 5.04
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PAMWUX
Authors/Journal
Authors: B.Das, J.B.Baruah
Chemical
Name: 1H-Pyrazole-3,5-dicarboxylic acid bis(isonicotinamide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.36
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PANCYQ
Authors/Journal
Authors: F.H.Herbstein, M.Kapon, G.Rzonzew, D.Rabinovich
476, 1978
Chemical
Name: Phenanthrene-2,3-dichloro-5,6-dicyano-p-benzoquinone complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PANCYQ01
Authors/Journal
Chemical
Name: phenanthrene 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-
dicarbonitrile
Synonym: phenanthrene 2,3-dichloro-5,6-dicyanobenzoquinone
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.82
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PANKAR
Authors/Journal
Authors: Qian-Jun Deng, Min-Xia Yao, Ming-Hua Zeng
Chemical
Name: 4,4'-Bipyridine bis(5-amino-1,3,4-thiadiazole-2(3H)-thione)
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PANQIG
Authors/Journal
Authors: Y.Manjare, V.R.Pedireddi
Chemical
Name: 1,3-Adamantanedicarboxylic acid (E)-1,2-bis(pyridin-4-
yl)diazene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PANQUS
Authors/Journal
Chemical
Name: 1,3-Adamantanedicarboxylic acid bis(1,7-phenanthroline)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PANQUS01
Authors/Journal
Chemical
Name: 1,3-Adamantanedicarboxylic acid bis(1,7-phenanthroline)
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 6.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PANRIH
Authors/Journal
Chemical
Name: 1,3-Adamantanedicarboxylic acid (E)-2,2'-(ethene-1,2-
diyl)bis(pyridine 1-oxide)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.7
Temperature: 297
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PANVAB
Authors/Journal
Authors: G.Smith, C.H.L.Kennard, K.A.Byriel
Chemical
Name: Urea itaconic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PANVUV
Authors/Journal
Chemical
Name: Urea cyanuric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PANYIM
Authors/Journal
Chemical
Name: 3-Aminobenzoic acid 5-nitroquinoline
Synonym:
Source:
Colour: red-orange
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PANZEJ
Authors/Journal
Chemical
Name: 4-Aminobenzoic acid bis(5-nitroquinoline)
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PAPDIT
Authors/Journal
Chemical
Name: 2-Aminobenzoic acid 5-nitroisoquinoline
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 10.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PAPFOB
Authors/Journal
Chemical
Name: 4-Aminobenzoic acid 5-nitroisoquinoline
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PAQNOM
Authors/Journal
Authors: U.Korkmaz, I.Ucar, A.Bulut, O.Buyukgungor
Chemical
Name: Pyrazine-2-carboxamide 3,4-dihydroxycyclobut-3-ene-1,2-dione
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.48
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PARBIT
Authors/Journal
Authors: T.Suzuki, H.Fujii, T.Miyashi, Y.Yamashita
Chemical
Name: 2,6-Dimethylnaphthalene 2,4,7-trinitro-9-fluorenone
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 7.34
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PARBOZ
Authors/Journal
Authors: T.Suzuki, H.Fujii, T.Miyashi, Y.Yamashita
Chemical
Name: 2,7-Dimethylnaphthalene 2,4,7-trinitro-9-fluorenone
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 9.61
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PASOCT10
Authors/Journal
Authors: F.F.Farris, W.R.Robinson
Chemical
Formula: C18 H15 As1 O1,C6 H2 Cl4 O2
Name: Triphenylarsine oxide-tetrachlorocatechol complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PASOFP
Authors/Journal
Authors: B.Birknes
Chemical
Formula: C18 H15 As1 O1,C6 H1 F5 O1
Name: Triphenylarsinic oxide pentafluorophenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PATROR
Authors/Journal
Authors: K.Peters, E.-M.Peters, H.G.von Schnering, G.Bringmann, L.Gobel
Chemical
Formula: C21 H21 Br1 O1,C18 H15 O1 P1
Name: 1-(2'-Hydroxy-3',6'-diethylphenyl)-2-(bromomethyl)naphthalene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: CSD 55525 not available
REFCODE: PAVGOK
Authors/Journal
Authors: Wen-Ni Zheng
Chemical
Name: bis(pyridine-4-carbonitrile) oxalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.58
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PAVHOJ
Authors/Journal
Authors: A.Avey, D.M.Schut, T.J.R.Weakley, D.R.Tyler
Chemical
Formula: C28 H22 O4 P2,2(C4 H10 O1)
Name: 2,3-bis(Diphenylphosphino)maleic acid
Synonym:
Source:
Melting Point: 135-140 deg.C (dec)
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PAVNEF
Authors/Journal
Authors: V.Hegde, Chi-Ying Hung, P.Madhukar, R.Cunningham, T.Hopfner,
R.P.Thummel
Chemical
Name: bis(Pyrido(3,2-g)indolo)(2,3-c:3',2'-f)1,2,7,8-
tetrahydroacridine imidazolidone
Synonym:
Source:
Colour: amber
Extra Information:
Experimental
R-Factor (%): 2.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PAVTAI
Authors/Journal
Authors: Sang-Ok Lee, B.M.Kariuki, K.D.M.Harris
Chemical
Name: 1,4-Dihydroxybutane bis(urea)
Synonym: PDB Chemical Component code: BU1
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.16
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PAVXAN06
Authors/Journal
Chemical
Name: benzene-1,4-dicarboxylic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PAVYIW
Authors/Journal
Authors: K.Amimoto, Y.Nishioka
Chemical
Name: (S)-2-Ammoniopropanoate (S)-2-phenoxypropanoic acid
Synonym: (S)-Alanine (S)-2-phenoxypropionic acid
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [BEYVAD]
Experimental
R-Factor (%): 2.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PAWGIF
Authors/Journal
Authors: Jin Shen, Jing-Jing Qian, Su-Xiang Wu, Jian-Ming Gu, Xiu-Rong
Hu
Chemical
Name: 2-(2-(4-(Dibenzo[b,f][1,4]thiazepin-11-yl)piperazin-1-yl 1-
oxide)ethoxy)ethanol hemikis(trans-but-2-enedioate)
Synonym: Quetiapine N-oxide hemikis(fumaric acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.99
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PAXTIS
Authors/Journal
Authors: C.B.Aakeroy, J.Desper, B.Levin, D.J.Salmon
Journal: Transactions of the ACA , 39, 123, 2004
Chemical
Formula: C7 H7 B1 O4,C10 H8 N2
Name: 4-Carboxybenzeneboronic acid 4,4'-bipyridine
Synonym: PDB Chemical Component code: 4CB
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.46
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PCRTXN
Authors/Journal
Authors: L.Dupont, O.Dideberg, J.Lamotte-Brasseur, L.Angenot
2987, 1976
Chemical
Name: 2a-hydroxy-8b-methyl-9-(prop-1-en-2-yl)hexahydro-8H-3,6-
methano-1,5,7-trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione 2a-hydroxy-9-
(2-hydroxypropan-2-yl)-8b-methylhexahydro-8H-3,6-methano-1,5,7-
trioxacyclopenta[ij]cyclopropa[a]azulene-4,8(3H)-dione
Synonym: Picrotoxinin-picrotin; Picrotoxin
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PDTOMS
Authors/Journal
Authors: R.Misra, W.Wong-Ng, P.-T.Cheng, S.McLean, S.C.Nyburg
Chemical
Name: pseudo-racemic Podopetaline ormosanine
Synonym:
Source: Podopetalum ormondii
Colour:
Extra Information:
Experimental
R-Factor (%): 8.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PDTOMS10
Authors/Journal
Authors: W.Wong-Ng, P.-T.Cheng, S.C.Nyburg
Chemical
Name: (-)-Ormosanine (-)-podopetaline
Synonym:
Source: Podopetalum ormondii
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PEBZOO
Authors/Journal
Authors: Hongyan He, Qi Zhang, Meiqi Li, Jian-Rong Wang, Xuefeng Mei
Chemical
Name: pyrrolidinium-2-carboxylate 5-(2-(4-
hydroxyphenyl)vinyl)benzene-1,3-diol
Synonym: L-proline resveratrol
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.11
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PECQOF
Authors/Journal
Authors: S.Muralidharan, Y.Vidyalakshmi, T.Srinivasan,
R.Gopalakrishnan, D.Velmurugan
Chemical
Name: bis(4-nitrophenol) morpholine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.15
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEFCAG
Authors/Journal
Authors: S.Kumaresan, P.G.Seethalakshmi, P.Kumaradhas, B.Devipriya
Chemical
Name: 4,4'-bipyridine bis(2-anilinobenzoic acid)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.35
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEFGUC01
Authors/Journal
Authors: K.Iwasaki, A.Ugawa, A.Kawamoto, Y.Yamashita, K.Yakushi,
T.Suzuki, T.Miyashi
Chemical
Formula: C18 H8 Se4,C12 N8 S2
Name: Naphthaceno(5,6-cd:11,12-c'd')-bis(1,2)diselenole 4,8-bis(di-
cyanomethylene)-4H,8H-benzo(1,2-c:4,5-c')-bis(1,2,5)thiadiazole
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PEFNEV
Authors/Journal
Authors: K.S.Eccles, R.E.Morrison, S.P.Stokes, G.E.O'Mahony, J.A.Hayes,
D.M.Kelly, N.M.O'Boyle, L.Fabian, H.A.Moynihan, A.R.Maguire, S.E.Lawrence
Chemical
Name: 1,4-Di-iodotetrafluorobenzene diphenylsulfoxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.86
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEFNIZ
Authors/Journal
Chemical
Name: (+-)-1,4-Di-iodotetrafluorobenzene phenyl p-tolyl sulfoxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.88
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEFNIZ01
Authors/Journal
Chemical
Name: (+-)-1,4-Di-iodotetrafluorobenzene phenyl p-tolyl sulfoxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.3
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEFNUL
Authors/Journal
Chemical
Name: (+-)-1,4-Di-iodotetrafluorobenzene phenyl 2-methoxyphenyl
sulfoxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.65
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEFPAT
Authors/Journal
Chemical
Formula: 2(C12 H8 O1 S2),C6 F4 I2
Name: 1,4-Di-iodotetrafluorobenzene bis(thianthrene 5-oxide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.72
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEFPEX
Authors/Journal
Chemical
Formula: 2(C16 H18 O1 S1),C6 F4 I2
Name: 1,4-Di-iodotetrafluorobenzene bis(bis(2-phenylethyl)
sulfoxide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.53
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEGNUK
Authors/Journal
Authors: E.Weber, K.Skobridis, A.Wierig, S.Stathi, L.R.Nassimbeni,
M.L.Niven
Chemical
Formula: C38 H26 O2,2(C10 H16 O1)
Name: (S)-2,2'-bis(9-Hydroxy-9-fluorenyl)biphenyl bis((-)fenchone)
Synonym:
Source:
Melting Point: above 150 deg.C (dec)
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.1
Temperature: 295
Density (CCDC): 1.2
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PEHFUF
Authors/Journal
Authors: N.Ravikumar, G.Gaddamanugu, K.A.Solomon
Chemical
Name: 3-(4-Hydroxyphenyl)acrylic acid isonicotinohydrazide
Synonym: isoniazid 4-hydroxycinnamic acid
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.64
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEKQOM
Authors/Journal
Authors: Z.J.Li, Yu.Abramov, J.Bordner, J.Leonard, A.Medek, A.V.Trask
Chemical
Formula: C27 H27 N5 O3,1.5(C4 H6 O4)
Name: (E)-2-Methoxy-N-(2-(4-(3-methyl-4-(6-methylpyridin-3-
yloxy)phenylamino)quinazolin-6-yl)ethenyl)acetamide sesquikis(succinic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: free base is a potent and selective ErbB2 inhibitor
Experimental
R-Factor (%): 5.04
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEKREE
Authors/Journal
Authors: V.Stilinovic, B.Kaitner
Chemical
Name: 2,5-Dihydroxybenzoic acid 3-nitropyridin-2(1H)-one
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.08
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEKROO
Authors/Journal
Chemical
Name: nicotinic acid 2,5-dihydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 10.91
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEKRUU
Authors/Journal
Chemical
Name: nicotinamide 2,5-dihydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.17
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEKSEF
Authors/Journal
Chemical
Name: methyl nicotinate - 2,5-dihydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 12.46
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEKTAC
Authors/Journal
Chemical
Name: 2,5-Dihydroxybenzoic acid isonicotinonitrile
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.43
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEMBAL
Authors/Journal
Authors: R.Chitra, P.Roussel, R.R.Choudhury
Chemical
Name: bis(thiourea) dimethyl oxalate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.07
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEMBEE
Authors/Journal
Authors: T.Tachikawa, A.Izuoka, T.Sugawara
Chemical
Name: 8,17-bis((4,5-Ethylen-1,2-dithiolato)thiophen-2-ylidene)-
tricyclo(13.3.0.0$6,10!)octadeca-1(15),6(10)-diene 2,3-dichloro-5,6-dicyano-p-
benzoquinone
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 7.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PENPYM
Authors/Journal
Authors: D.L.Evans, W.T.Robinson
2891, 1977
Chemical
Name: Pyromellitic acid dianhydride-phenanthrene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PEQBES
Authors/Journal
Authors: M.Amai, T.Endo, H.Nagase, H.Ueda, M.Nakagaki
Chemical
Name: Octadecanoic acid 3-pyridinecarboxamide
Synonym: PDB Chemical Component code: STE
Source:
Melting Point:
Colour: colorless
Extra Information: structure has the pharmaceutical advantage of improved
hygroscopic activity over nicotinamide
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PEQQOS
Authors/Journal
Authors: C.B.Aakeroy, N.Schultheiss, J.Desper, C.Moore
Chemical
Name: 1-(3-Methoxy-5-pyridyl)-2-(2-amino-6-methyl-4-
pyrimidinyl)ethyne 3-(dimethylamino)benzoic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.73
Temperature: 293
Intensity Meas: 3
Disorder:
REFCODE: PERFAN
Authors/Journal
Authors: A.W.Hanson
Chemical
Name: Perylene-fluoranil complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PERPML
Authors/Journal
Authors: J.C.A.Boeyens, F.H.Herbstein
Journal: J.Phys.Chem. , 69, 2160, 1965
Chemical
Name: Perylene-pyromellitic dianhydride complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 14.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PERPML02
Authors/Journal
Authors: J.C.A.Boeyens, D.C.Levendis
Chemical
Name: Perylene pyromellitic dianhydride
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 9.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information: rigid body, anisotropic refinement
CCDC Notes:
REFCODE: PERTCE10
Authors/Journal
Authors: I.Ikemoto, K.Yakushi, H.Kuroda
800, 1970
Chemical
Name: Perylene-tetracyanoethylene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.3
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PERTCQ
Authors/Journal
Chemical
Name: Perylene-7,7,8,8-tetracyanoquinodimethane complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PERTCQ01
Authors/Journal
Authors: Peng Hu, Lin Ma, Ke Jie Tan, Hui Jiang, Fengxia Wei, Chuhuan
Yu, K.P.Goetz, O.D.Jurchescu, L.E.McNeil, G.G.Gurzadyan, C.Kloc
Chemical
Name: 2,2'-cyclohexa-2,5-diene-1,4-diylidenedimalononitrile perylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PERTCQ03
Authors/Journal
Authors: J.Henderson, M.Masino, L.E.Hatcher, G.Kociok-Kohn, T.Salzillo,
A.Brillante, P.R.Raithby, A.Girlando, E.Da Como
Chemical
perylene
Synonym: perylene tetracyanoquinodimethane
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PESHIG
Authors/Journal
Authors: Qi Feng, Mingliang Wang, Baoli Dong, Chunxiang Xu, Jing Zhao,
Hongjuan Zhang
Chemical
Name: 1-(3-(4-Methoxyphenyl)-5-(pyren-1-yl)-4,5-dihydro-1H-pyrazol-
1-yl)ethanone phenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PESLEF
Authors/Journal
Authors: R.M.Claramunt, C.Lopez, C.Perez-Medina, E.Pinilla, M.R.Torres,
J.Elguero
Chemical
Name: bis(6,6-Dimethyl-1,5,6,7-tetrahydro-4H-indazol-4-one) 6,6-
dimethyl-2,5,6,7-tetrahydro-4H-indazol-4-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PESROV
Authors/Journal
Authors: Ji-Lin Lu, Da-Shun Zhang, Lin Li, Bei-Ping Liu
Chemical
Name: 1,4-Dihydro-3,6-dipyrazin-2-yl-1,2,4,5-tetrazine benzene-1,3-
dicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.98
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PESROV01
Authors/Journal
Authors: Xiao-Juan Fu, Zhi-Hui Zhang, Miao Du
Chemical
Name: Isophthalic acid 3,6-bis(2-pyrazinyl)-1,4-dihydro-1,2,4,5-
tetrazine
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.06
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEVKIK
Authors/Journal
Authors: K.Biradha, C.V.K.Sharma, K.Panneerselvam, L.Shimoni,
H.L.Carrell, D.E.Zacharias, G.R.Desiraju
Chemical
Name: Dibenzylideneacetone bis(1,3,5-trinitrobenzene)
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PEVKIK01
Authors/Journal
Chemical
Name: Dibenzylideneacetone bis(1,3,5-trinitrobenzene)
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PEZPUF
Authors/Journal
Authors: G.Smith, D.E.Lynch, R.C.Bott
Chemical
Name: bis(5-Nitrosalicylic acid) 2-imidazolidone
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PHENQU
Authors/Journal
Authors: T.Sakurai
403, 1968
Chemical
Name: Benzoquinone bis(phenol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.5
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PHLBZQ
Authors/Journal
Authors: T.Sakurai, H.Tagawa
1453, 1971
Chemical
Name: Phloroglucinol bis(p-benzoquinone) complex
Synonym: 1,3,5-Trihydroxybenzene bis(p-benzoquinone) complex
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 12.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Bond lengths C5-6 in ring III should be1.38, not 1.30 as given
REFCODE: PHNAZI
Authors/Journal
Authors: T.Uchida
Chemical
Name: Phenazine iodine complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.4
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PHNAZI01
Authors/Journal
Authors: T.Uchida, K.Kimura
Chemical
Name: Phenazine iodine
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PHNSNB10
Authors/Journal
Authors: C.J.Fritchie Junior
Chemical
Name: Phenothiazine-1,3,5-trinitrobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 12.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PHNSNB11
Authors/Journal
Authors: H.Kobayashi, Biao Zhou, Yuji Imai, D.Yokota, A.Kobayashi
Chemical
Name: 10H-Phenothiazine 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PHSIOY
Authors/Journal
Authors: V.E.Shklover, I.L.Dubchak, Yu.T.Struchkov, E.S.Khinku,
A.A.Zhdanov
Chemical
Formula: C24 H24 O8 Si4,2(C5 H5 N1)
Name: 3,3,7,7-Tetraphenylcyclotetrasiloxane-1,1,5,5-tetrol
bis(pyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: C15 z should be 0.7401
REFCODE: PIBDAF
Authors/Journal
Authors: J.T.Leman, J.Braddock-Wilking, A.J.Coolong, A.R.Barron
Chemical
Name: 1,3-bis(2-Methylphenyl)triazenide 2-methylphenylamine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Intermolecular hydrogen bond between NH and NH2 groups
REFCODE: PICDUA
Authors/Journal
Authors: C.V.K.Sharma, K.Panneerselvam, T.Pilati, G.R.Desiraju
Chemical
Name: 3,5-Dinitrocinnamic acid 4-(N,N-dimethylamino)benzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Intermolecular hydrogen bonds between carboxyl groups
REFCODE: PICFAI
Authors/Journal
Authors: C.V.K.Sharma, K.Panneerselvam, T.Pilati, G.R.Desiraju
Chemical
Name: 3,5-Dinitrocinnamic acid 4-(N,N-dimethylamino)cinnamic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Intermolecular hydrogen bonds between carboxyl groups
REFCODE: PICFUM
Authors/Journal
Authors: B.T.Gorres, E.R.McAfee, R.A.Jacobson
158, 1975
Chemical
Name: bis(beta-Picoline-N-oxide)-fumaric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: ATOMS H(1) AND H(5) REMOVED FOR SUSPECTED COORDINATE ERROR
REFCODE: PICOLI
Authors/Journal
Authors: O.Hassel, C.Romming, T.Tufte
Chemical
Name: 4-Picoline-iodine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 12.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes: PUBLISHED VALUE OF Y(C4) = 0.019. THE CORRECT VALUE IS 0.251
REFCODE: PIDJUJ
Authors/Journal
Authors: Jiamei Chen, Tongbu Lu
Journal: Chin.J.Chem.Phys.(Huaxue Wuli Xuebao) , 31, 635, 2013
Chemical
Name: Methyl (6-benzoyl-1H-benzimidazol-2-yl)carbamate pentanoic
acid
Synonym: Mebendazole pentanoic acid; PDB Chemical Component code: LEA
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PIDKAQ
Authors/Journal
Authors: Jiamei Chen, Tongbu Lu
Journal: Chin.J.Chem.Phys.(Huaxue Wuli Xuebao) , 31, 635, 2013
Chemical
Name: Methyl (6-benzoyl-1H-benzimidazol-2-yl)carbamate butanoic acid
Synonym: Mebendazole butanoic acid
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PIFVIK
Authors/Journal
Authors: P.Metrangolo, F.Meyer, T.Pilati, D.M.Proserpio, G.Resnati
Chemical
Formula: C29 H8 F16 I4 O4,C25 H24 N4 O4
Name: tetrakis(4-pyridyl)pentaerythritol tetrakis(4-iodo-
tetrafluorophenyl)pentaerythritol
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.47
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PIGJUK
Authors/Journal
Authors: J.Toyoda, A.Oda, I.Murata, A.Kawamoto, J.Tanaka, K.Nakasuji
Chemical
Name: 2,7-bis(Methylthio)-1,6-dithiapyrene tetracyano-2,6-
naphthoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PIGXUY
Authors/Journal
Authors: F.Bigoli, P.Deplano, M.L.Mercuri, M.A.Pellinghelli, E.F.Trogu
Chemical
Formula: C3 H2 S3,I2
Name: 1,3-Dithiole-2-thione di-iodine
Synonym:
Source:
Melting Point:
Colour: red-brown
Extra Information:
Experimental
R-Factor (%): 5.37
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PIJHIA
Authors/Journal
Authors: Y.Sekiguchi, S.Takayama, T.Gotanda, K.Sano
Chemical
Name: 2-(6-(Diethylamino)-3-(diethyliminio)-3H-xanthen-9-yl)benzoate
ethyl 3,4,5-trihydroxybenzoate
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 8.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PIJHOG
Authors/Journal
Chemical
ethyl 3,4-dihydroxybenzoate
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.54
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PIJHUM
Authors/Journal
Chemical
4-hydroxybenzophenone
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PIJSEJ
Authors/Journal
Authors: P.Khakhlary, M.P.Singh, A.Bhuyan, J.B.Baruah
Chemical
Name: 1,3,5,7-tetraazatricyclo[3.3.1.1$3,7!]decane bis(naphthalene-
2,3-diol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.64
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PIJSUZ
Authors/Journal
Authors: P.Khakhlary, M.P.Singh, A.Bhuyan, J.B.Baruah
Chemical
Name: naphthalene-2,7-diol bis(1,3,5,7-
tetraazatricyclo[3.3.1.1$3,7!]decane)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.59
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PIKLEA
Authors/Journal
Authors: A.Ota, Y.Kawashima, H.Ohishi, T.Ishida
Chemical
Name: (R)-(+)-2-(5-Methoxy-2-(3-(methyl-(2-(3,4-(methylenedioxy)-
phenoxy)ethyl)amino)propoxy)phenyl)-4-methyl-2H-1,4-benzothiazin-3(4H)-one
mandelate
Synonym: Semotiadil mandelate
Source:
Melting Point:
Colour:
Experimental
R-Factor (%): 4.33
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PIKMIF
Authors/Journal
Authors: J.Prikryl, B.Kratochvil, J.Ondracek, J.Maixner, J.Klicnar,
K.Huml
Journal: Collect.Czech.Chem.Commun. , 58, 2121, 1993
Chemical
Formula: 2(C15 H12 Cl1 N5 O4),C10 H8
Name: 5-(4-Chloro-2-nitrophenyl)-azo-6-hydroxy-1-ethyl-3-cyano-4-
methyl-2-pyridone naphthalene
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Dx reported as 1.480; we calculate 1.44
REFCODE: PILCIW
Authors/Journal
Authors: V.Cody, J.R.Luft
Chemical
Formula: C15 H10 O8,2(C18 H15 O1 P1)
Name: 3',4',5',3,5,7-Hexahydroxyflavone bis(triphenylphosphine
oxide)
Synonym: Myricetin bis(triphenylphosphine oxide)
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Intra- and intermolecular hydrogen bonds. Dx and fw given as
1.29 and 833.76, respectively; we calculate 1.36 and 874.82
REFCODE: PILCUK
Authors/Journal
Authors: Xin-Ming Wang, Liang-Sheng Qiang, Rui-Qing Fan, Ping Wang, Yu-
Lin Yang
Chemical
Name: 2-Hydroxybenzene-1,3,5-tricarboxylic acid 4-(1H-imidazol-1-
yl)benzoic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PILTOW
Authors/Journal
Authors: Wan-Wan Wang, Hai-Tao Zong, Wei-Na Wu
Chemical
Name: ethyl 5-formyl-3,4-dimethyl-1H-pyrrole-2-carboxylate 2-
(propan-2-ylidene)hydrazine-1-carbothioamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PINHID
Authors/Journal
Authors: M.Hjorth, N.Thorup, P.Frederiksen, K.Bechgaard
Chemical
Name: peri-Xanthenoxanthene tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: y(C7) is -0.3860 not 0.3860
REFCODE: PINJII
Authors/Journal
Authors: M.S.Souza, L.F.Diniz, L.Vogt, P.S.Carvalho Junior, R.F.Dvries,
J.Ellena
Chemical
Name: pyridine-4-carbohydrazide 4-amino-5-fluoropyrimidin-2(1H)-one
Synonym: 5-Fluorocytosine Isoniazid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PIQRIT
Authors/Journal
Authors: L.Villar, N.V.Orlov, N.S.Kondratyev, Uxue Uria, J.L.Vicario,
A.V.Malkov
Chemical
Formula: C14 H17 F1 O1,C13 H16 F1 N1 O1
Name: N-[1-(4-fluorophenyl)pent-3-en-1-yl]acetamide 4-(4-
fluorophenyl)octa-2,6-dien-2-ol
Synonym:
Source:
Melting Point:
Colour:
Experimental
R-Factor (%): 4.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PITYAS
Authors/Journal
Authors: O.Ermer, A.Eling
Chemical
Name: Hydroquinone p-phenylenediamine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PITYEW
Authors/Journal
Chemical
Name: Hydroquinone benzidine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PITYIA
Authors/Journal
Chemical
Name: 4,4'-Dihydroxybiphenyl p-phenylenediamine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PITYOG
Authors/Journal
Chemical
Name: 4,4'-Dihydroxybiphenyl benzidine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PITZEX
Authors/Journal
Chemical
Name: Hydroquinone 1,4-bis(isopropylideneamino)benzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PIVDOO
Authors/Journal
Authors: Hong-Chang Yao, Miao-Miao Li, Gao-Sheng Yang, Zhong-Jun Li, Yu
Zhu
Chemical
Formula: C15 H10 N4 O1,0.5(C15 H12 N4)
Name: bis(Benzimidazol-2-yl)methanone hemikis(bis(benzimidazol-2-
yl)methane)
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.39
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PIWKEL
Authors/Journal
Authors: K.Furuichi, H.Tada, A.Itoh, Y.Takeuchi, M.Mitoori, M.Kato,
S.Matsumoto, M.Hashimoto
Chemical
Formula: C16 H8 O4,C6 H4 S4
Name: Benzo(1,2:4,5)dicycloheptene-3,6,9,12-tetraone
tetrathiafulvalene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.01
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Fw given as 486.3, we find 468.58
REFCODE: PIYDEG
Authors/Journal
Chemical
Formula: C11 H22 N6,C8 H9 F3 N2 O3
Name: 2-Amino-4,6-bis(t-butylamino)-1,3,5-triazine 5-ethyl-5-(2,2,2-
trifluoroethyl)barbituric acid
Synonym: N,N'-Di(t-butyl)melamine 5-ethyl-5-(2,2,2-trifluoroethyl)-
barbitol
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.91
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PIYDUW
Authors/Journal
Chemical
Name: 2-Amino-4,6-bis(t-butylamino)-1,3,5-triazine 5,5-dimethyl-
barbituric acid
Synonym: N,N'-Di(t-butyl)melamine 5,5-dimethylbarbitol
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.24
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PIYFAE
Authors/Journal
Chemical
Name: 2-Amino-4,6-bis(t-butylamino)-1,3,5-triazine 5,5-diphenyl-
barbituric acid
Synonym: N,N'-Di(t-butyl)melamine 5,5-diphenylbarbitol
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PMEANT
Authors/Journal
Authors: I.V.Bulgarovskaya, E.M.Smelyanskaya, Yu.G.Federov,
Z.V.Zvonkova
Chemical
Name: N,N'-Dimethyl-pyromellitic di-imide anthracene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: H1,H3,H4,H5,H11 DELETED FOR COORDINATE ERRORS. C11 seems to be
in error
REFCODE: PMPZOL
Authors/Journal
Authors: F.Bechtel, J.Gaultier, C.Hauw
Chemical
Name: 1-Phenyl-3-methyl-5-pyrazolone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Both the OH and NH tautomeric forms are present in the unit
REFCODE: PMPZOL04
Authors/Journal
Authors: Qiang Wang, Yi Zhang, Rong Wang, Yi-Lin Yang, Feng Zhi
Chemical
Name: 5-Methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 3-methyl-1-
phenyl-1H-pyrazol-5-ol
Synonym: Edaravone; MCI-186
Source:
Melting Point:
Colour: colorless
Extra Information: widely used for the treatment of acute cerebral infarction
Experimental
R-Factor (%): 3.97
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PMTTIC
Authors/Journal
Authors: N.C.Baenziger, A.D.Nelson, A.Tulinsky, J.H.Bloor, A.I.Popov
Chemical
Formula: C6 H10 N4,Cl1 I1
Name: Pentamethylenetetrazole iodine monochloride complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PMTTIC01
Authors/Journal
Authors: N.C.Baenziger, A.D.Nelson, A.Tulinsky, J.H.Bloor, A.I.Popov
Chemical
Formula: C6 H10 N4,Cl1 I1
Name: Pentamethylenetetrazole iodine monochloride complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: PARAMETERS ARE THOSE OF TBP
REFCODE: POBDAL
Authors/Journal
Authors: M.Ramm, C.Bischoff
Chemical
Name: 4-Hydroxy-4(3-methyl-5-oxo-4,5-dihydro-1H-pyrazo-4-yl)-3-
methyl-5-oxo-4,5-dihydro-1H-pyrazole
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Dx reported as 1.581; we calculate 1.48
REFCODE: POBJOI
Authors/Journal
Authors: Y.Rosello, M.Benito, E.Molins, M.Barcelo-Oliver, A.Frontera
Chemical
Name: bis(9-ethyl-9H-purin-6-amine) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym: bis(N$9!-ethyladenine) 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.07
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PODLAV
Authors/Journal
Authors: I.S.Ahmed Farag, A.M.Gad, A.M.El-Shabiny, V.B.Rybakov
Chemical
Name: 2-Amino-1-phenylpyrimidine (4-hydroxy-3-methoxy)benzaldehyde
Synonym:
Source:
Melting Point:
Colour: brown-yellow
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Fw and dx reported as 291.31 and 1.17; we calculate 323.35 and
1.30. Space group appears to be P21/n not P2/n
REFCODE: POFPAB
Authors/Journal
Authors: S.Valiyaveettil, V.Enkelmann, K.Mullen
Chemical
Formula: C20 H30 O5,0.5(C4 H4 N2)
Name: 5-Dodecanoxy-isophthalic acid pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Published fw 406.52 - we calculate fw 390.50; CSD 58622
contains no further data
REFCODE: POFVOV
Authors/Journal
Authors: H.Koshima, Kuiling Ding, T.Matsuura
Chemical
Name: Phenanthridine 3-indoleacetic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: POGZIX
Authors/Journal
Authors: Kun-Ang Li, Zhuo Wang, Chang-Dong Xie, Tao Chen, Hui Qiang,
Y.A.Liu, Xue-Shun Jia, Wei-Bo Hu, Ke Wen
Chemical
Name: 34-(hydroxyimino)-9,14,19,24,26,28,30,32-
octamethoxyhexacyclo[21.2.2.2$3,6!.2$8,11!.2$13,16!.2$18,21!]pentatriaconta-
1(25),3(35),5,8,10,13,15,18,20,23,26,28,30,32-tetradecaen-4-one n-butan-1-ol
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POGZOD
Authors/Journal
Authors: Y.V.Torubaev, D.K.Rai, I.V.Skabitsky, S.Pakhira, A.Dmitrienko
Chemical
Formula: 2(C12 H10 Se2),C6 F4 I2
Name: bis(diphenyldiselane) 1,2,4,5-tetrafluoro-3,6-di-iodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.29
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POHDAR
Authors/Journal
Authors: Cheng Xiao-Jun, Li Cun-Bao, Zhang Jian-Min, Liu Qi-Wang
Chemical
Name: (1R,2S)-N-Methylephedine benzoate hydrochloride
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: POHDUO
Authors/Journal
Authors: M.Chahkandi, M.H.Bhatti, U.Yunus, M.Nadeem, N.Rehman,
M.N.Tahir
Chemical
Name: 3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoic acid 1H-
benzimidazole
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POJQEK
Authors/Journal
Authors: D.E.Lynch, G.Smith, K.A.Byriel, C.H.L.Kennard, J.Kwiatkowski,
A.K.Whittaker
Chemical
Name: N-Methylpyrrole-2-carboxylic acid triphenylphosphine oxide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.59
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: POJQIR
Authors/Journal
Authors: F.K.Kessler, A.M.Burow, G.Savasci, T.Rosenthal, P.Schultz,
E.Wirnhier, O.Oeckler, C.Ochsenfeld, Wolfgang Schnick
Chemical
Name: N$2!-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-
triamine 1,3,4,6,7,9,9b-heptaazaphenalene-2,5,8-triamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 23.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POKHAY10
Authors/Journal
Authors: Tai Y.Fu, J.R.Scheffer, J.Trotter
Chemical
Name: 4-(2,4,6-Tri-isopropyl-benzoyl)benzoic acid (S)-(-)-proline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: POLLUZ
Authors/Journal
Chemical
Name: 2,6-bis(pyridin-4-ylmethylene)cyclohexanone benzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POLMAG
Authors/Journal
Chemical
Name: 2,6-bis(pyridin-4-ylmethylene)cyclohexanone benzene-1,3,5-
triol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.71
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POLMEK
Authors/Journal
Chemical
Name: 1-methyl-3,5-bis(pyridin-4-ylmethylene)piperidin-4-one
benzene-1,3,5-triol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POQPIX
Authors/Journal
Authors: Y.Yamamura, E.Saito, H.Saitoh, N.Hoshino, K.Saito
Chemical
Name: 5,5'-dimethyl-2,2'-bipyridine 2,5-dibromo-3,6-
dihydroxycyclohexa-2,5-diene-1,4-dione
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.56
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POQPIX04
Authors/Journal
Chemical
Name: 5,5'-dimethyl-2,2'-bipyridine 2,5-dibromo-3,6-
dihydroxycyclohexa-2,5-diene-1,4-dione
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.48
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POQSUK
Authors/Journal
Authors: Y.Lopez, K.M.Ruiz-Perez, R.Yepez, R.Santillan, M.Flores-Alamo,
M.A.Iglesias-Arteaga
Journal: Steroids , 73, 657, 2008
Chemical
Formula: C31 H44 N2 O9,0.5(N1 Na1 O2)
Name: anti-(25R)-3beta,5alpha-Diacetoxy-6-nitroimino-5alpha-
spirostan-23-one hemikis(sodium nitrite)
Synonym:
Source:
Colour: colorless
Experimental
R-Factor (%): 6.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: The deposited cif includes a sodium nitrite moiety that is not
described or included in the crystallographic data reported in the paper. No reply
to our request for clarification
REFCODE: POSHOU
Authors/Journal
Authors: A.I.Kotov, S.V.Konovalikhin, R.V.Pisarev, G.V.Shilov,
O.A.Dyachenko, E.B.Yagubskii
Journal: Mendeleev Commun. , , 180, 1994
Chemical
Formula: 4(C60),3(C4 N4 S6)
Name: tetrakis(C60fullerene) tris(3,3',4,4'-tetrathio-bis(1,2,5-
thiadiazole))
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x(C13) is 0.1573 not 0.1537
REFCODE: POVGAK
Authors/Journal
Authors: Xiaojuan Wang, Qi Zhang, Linglei Jiang, Yun Xu, Xuefeng Mei
Chemical
yl)benzenesulfonamide 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POVGEO
Authors/Journal
Chemical
yl)benzenesulfonamide 4,4'-ethene-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.24
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POVGIS
Authors/Journal
Chemical
yl)benzenesulfonamide 4,4'-ethane-1,2-diyldipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.26
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POVXAC
Authors/Journal
Authors: Munendra Pal Singh, A.Tarai, J.B.Baruah
Chemical
Name: 5-aminobenzene-1,3-dicarboxylic acid 1,3,7-trimethyl-3,7-
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.15
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POVYEF
Authors/Journal
Authors: C.H.Gorbitz, K.Rissanen, A.Valkonen, A.Husabo
Chemical
Name: L-Phenylalanine D-2-aminobutyric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POVYIJ
Authors/Journal
Chemical
Name: L-Phenylalanine D-norvaline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POVYOP
Authors/Journal
Chemical
Name: L-Phenylalanine D-methionine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.74
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POVYUV
Authors/Journal
Chemical
Name: L-Phenylalanine D-leucine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POVZAC
Authors/Journal
Chemical
Name: L-Phenylalanine D-isoleucine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [POXGAL]
Experimental
R-Factor (%): 4.55
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POWREB
Authors/Journal
Authors: S.M.Oburn, M.A.Sinnwell, D.P.Ericson, E.W.Reinheimer,
D.M.Proserpio, R.H.Groeneman, L.MacGillivray
Chemical
Formula: 2(C15 H13 N1 O2),C6 H4 I2 O2
Name: bis(4-[2-(pyridin-4-yl)ethenyl]phenyl) acetate 4,6-
diiodobenzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.69
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POXGAL
Authors/Journal
Chemical
Name: L-Phenylalanine D-alloisoleucine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [POVZAC]
Experimental
R-Factor (%): 3.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POZCOZ
Authors/Journal
Authors: R.N.Costa, A.L.Reviglio, S.Siedler, S.G.Cardoso, Y.G.Linck,
G.A.Monti, A.M.G.Carvalho, J.A.L.C.Resende, M.H.C.Chaves, H.V.A.Rocha,
D.Choquesillo-Lazarte, L.Infantes, S.L.Cuffini
Chemical
Name: 4-hydroxybenzoic acid 11-cyclopropyl-4-methyl-5,11-dihydro-6H-
dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.83
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POZNOK
Authors/Journal
Authors: A.O.Surov, A.P.Voronin, N.A.Vasilev, A.V.Churakov,
G.L.Perlovich
Chemical
Name: 4-hydroxy-3-methoxybenzoic acid 2-(2,4-difluorophenyl)-1,3-
bis(1H-1,2,4-triazol-1-yl)propan-2-ol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.57
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: POZPAY
Authors/Journal
Authors: A.O.Surov, A.P.Voronin, N.A.Vasilev, A.V.Churakov,
G.L.Perlovich
Chemical
Name: 4-hydroxybenzoic acid 2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-
triazol-1-yl)propan-2-ol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.24
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PTSTCQ
Authors/Journal
Authors: V.F.Kaminskii, R.P.Shibaeva, M.Z.Aldoshina, R.N.Lyubovskaya,
M.L.Khidekel
Chemical
Formula: C9 H6 S2 Se1,C12 H4 N4
Name: 5-Phenyl-1,3-thiaselenole-2-thione 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: There are a number of inconsistencies between the lablelling
in the atom and bond tables
REFCODE: PTZTCQ
Authors/Journal
Authors: H.Kobayashi
1010, 1974
Chemical
Name: Phenothiazine 7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 12.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PTZTCQ01
Authors/Journal
Authors: L.Toupet, N.Karl
Chemical
Name: Phenothiazine 7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PUBMUX
Authors/Journal
Authors: S.Allu, G.Bolla, S.Tothadi, A.K.Nangia
Chemical
Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid azepan-2-one
Synonym: Bumetanide caprolactam
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.94
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUBNAE
Authors/Journal
Chemical
Name: bis(3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid) 1-
methylazepan-2-one
Synonym: bis(Bumetanide) N-methyl caprolactam
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.19
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUBNEI
Authors/Journal
Chemical
Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid urea
Synonym: Bumetanide urea
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUBNIM
Authors/Journal
Chemical
Name: 3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid piperidin-2-
one
Synonym: Bumetanide valerolactam
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.04
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUFFUS
Authors/Journal
Authors: Xiangdong Zhang, Lijuan Wang, Chunhua Ge, Yanmei Men, Rui
Zhang
Chemical
Name: 4,4'-Bipyridine bis(2,3,4,5,6-pentafluorobenzoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.14
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUFGUT
Authors/Journal
Authors: Lin-Lin Jing, Hai-Bo Wang, Xiao-Li Sun
Chemical
Name: Triphenylphosphine oxide 2-(4-hydroxyphenyl)-4,4,5,5-
tetramethylimidazolidine-1-oxyl 3-oxide
Synonym:
Source:
Melting Point:
Colour: blue
Extra Information:
Experimental
R-Factor (%): 4.51
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUHROZ09
Authors/Journal
Authors: I.Majerz, M.J.Gutmann
Chemical
Name: 3,5-Dinitrobenzoic acid 3,5-dimethylpyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.2
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes: The proton in the OHN hydrogen bond shifts towards the
acceptor N atom at low temperatures
REFCODE: PUHWUN
Authors/Journal
Authors: T.Carstens, D.A.Haynes, V.J.Smith
Chemical
Name: cyclohexa-2,5-diene-1,4-dione 4-fluorophenol
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information: Heat-sensitive
Experimental
R-Factor (%): 5.11
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUJBOM
Authors/Journal
Chemical
Name: 2-Amino-4,6-dimethylpyrimidine anthranilic acid
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUJVUO
Authors/Journal
Authors: Yunlei Fu, Mingjuan Zhang, Huiqi Qu, Kang Liu, Zhaoxiang
Zhang, Yu Yang, Bin Li, Fusheng Liu, Lei Wang
Chemical
Name: benzene-1,2,3-tricarboxylic acid 4-(2H-tetrazol-5-yl)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUJWEZ
Authors/Journal
Authors: Yunlei Fu, Mingjuan Zhang, Huiqi Qu, Kang Liu, Zhaoxiang
Zhang, Yu Yang, Bin Li, Fusheng Liu, Lei Wang
Chemical
Name: 5-(pyridin-1-ium-4-yl)tetrazol-1-ide 2,3-dihydroxybenzoate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.92
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUKPER
Authors/Journal
Authors: Li-Jing Cui, Xin-Yuan Chen
Chemical
Name: Isonicotinonitrile benzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.89
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PULWUO
Authors/Journal
Authors: C.Meiners, S.Valiyaveettil, V.Enkelmann, K.Mullen
Chemical
Name: 2,5-Di-n-hexylterephthalic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point: 415K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PUMQET
Authors/Journal
Authors: C.C.Evans, M.Bagieu-Beucher, R.Masse, J.-F.Nicoud
Chemical
Name: 4-Pyridone 4-nitrophenol
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PUMVOI
Authors/Journal
Authors: K.Suzuki, M.Tomura, Y.Yamashita
Chemical
Formula: 2(C12 H2 N6 S1),C6 H4 S4
Name: bis(2,5-bis(Dicyanomethylene)thieno(3,4-b)pyrazine)
tetrathiafulvalene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PUMVUO
Authors/Journal
Authors: K.Suzuki, M.Tomura, Y.Yamashita
Chemical
Formula: 2(C12 H2 N6 S1),3(C6 H4 S4)
Name: bis(2,5-bis(Dicyanomethylene)thieno(3,4-b)pyrazine)
tris(tetrathiafulvalene)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Density (CCDC): 1.6
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PUMWEZ
Authors/Journal
Authors: T.Otsuka, T.Okuno, K.Awaga, T.Inabe
Chemical
Name: bis(2-(4-Pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-
1-oxy)3-N-oxide hydroquinone
Synonym: bis(p-Pyridyl nitronylnitroxide) hydroquinone
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.02
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PUMWID
Authors/Journal
Authors: T.Otsuka, T.Okuno, K.Awaga, T.Inabe
Chemical
Name: bis(2-(4-Pyridyl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-
1-oxy) 3-N-oxide fumaric acid
Synonym: bis(p-Pyridyl nitronylnitroxide) fumaric acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.91
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PUNXOO
Authors/Journal
Authors: T.A.Vaganova, Y.V.Gatilov, D.P.Pishchur, E.V.Malykhin
Chemical
Formula: C12 H24 O6,2(C7 H3 F4 N1 O2)
Name: bis(4-amino-2,3,5,6-tetrafluorobenzoic acid) 18-crown-6
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.26
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUNYUS
Authors/Journal
Authors: M.K.Chantooni Junior, D.Britton
Chemical
Name: 3,5-Dimethylpicric acid acenaphthene
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PUNZEG
Authors/Journal
Authors: Wenxu Zheng
Chemical
Formula: 2(C6 H6 B1 F1 O2),C6 H5 N1 O2
Name: bis((4-fluorophenyl)boronic acid) pyridin-1-ium-4-carboxylate
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.39
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUNZIK
Authors/Journal
Authors: Wenxu Zheng
Chemical
Name: (3,4,5-trifluorophenyl)boronic acid pyridin-1-ium-4-
carboxylate
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 5.04
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUQQIB
Authors/Journal
Authors: A.Ranganathan, V.R.Pedireddi
Chemical
Formula: 2(C7 H4 N2 O6),C6 H4 I2
Name: bis(3,5-Dinitrobenzoic acid) 1,4-di-iodo-benzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PURDUD
Authors/Journal
Authors: F.Grepioni, S.d'Agostino, D.Braga, A.Bertocco, L.Catalano,
B.Ventura
Chemical
Formula: C23 H21 N3 O2,0.5(C6 F4 I2)
Name: 6-(piperidin-1-yl)-2-(pyridin-2-ylmethyl)-1H-
benzo[de]isoquinoline-1,3(2H)-dione 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 8.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PURFEP
Authors/Journal
B.Ventura
Chemical
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 8.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PURFUF
Authors/Journal
B.Ventura
Chemical
Formula: C23 H21 N3 O2,0.5(C6 F4 I2)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.26
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PURGEQ
Authors/Journal
Authors: Kunru Yu, Xiaohua Liu, Xiaobin Lin, Lili Lin, Xiaoming Feng
Chemical
Formula: C20 H22 N2 O3,0.25(C4 H8 O2)
Name: N-(1-((benzylideneamino)oxy)-4-methyl-1-oxopentan-2-
yl)benzamide ethyl acetate
Synonym:
Source:
Melting Point:
Experimental
R-Factor (%): 6.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUTLUN
Authors/Journal
Authors: K.Kowalska, D.Trzybinski, A.Sikorski
Chemical
Name: 3-iodobenzoic acid acridine
Synonym:
Source:
Melting Point:
Colour: light brown
Extra Information:
Experimental
R-Factor (%): 3.65
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUTMAU
Authors/Journal
Chemical
Name: acridine benzoic acid
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.11
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUTMIC
Authors/Journal
Chemical
Name: 2-iodobenzoic acid acridine
Synonym:
Source:
Melting Point:
Colour: light brown
Extra Information:
Experimental
R-Factor (%): 5.14
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUTMUO
Authors/Journal
Chemical
Name: 3-chlorobenzoic acid acridine
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUTNAV
Authors/Journal
Chemical
Name: 3-bromobenzoic acid acridine
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.34
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUVMIC
Authors/Journal
Authors: E.S.Lavender, C.Glidewell, G.Ferguson
Chemical
Name: bis(2,2'-Bipyridine) 1,3,5-trihydroxybenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PUVMOI
Authors/Journal
Authors: E.S.Lavender, C.Glidewell, G.Ferguson
Chemical
Name: 2,2'-Bipyridine 4,4'-sulfonyldiphenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PUXXIS
Authors/Journal
Authors: V.Rama, S.Vidavulur, P.V.Tadikonda, N.Rajana, S.Mittapalli
Chemical
Name: 7-{4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy}quinolin-
2(1H)-one propanedioic acid
Synonym: Brexpiprazole malonic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PUYTAE
Authors/Journal
Authors: R.Moreno-Fuquen, A.M.Montano, R.Atencio
Chemical
Name: Hydroquinone 3-methyl-4-nitropyridine 1-oxide
Synonym:
Source:
Melting Point: 384K
Colour: orange-red
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PVVBFD01
Authors/Journal
Authors: J.Zyss, I.Ledoux-Rak, H.-C.Weiss, D.Blaser, R.Boese,
P.K.Thallapally, V.R.Thalladi, G.R.Desiraju
Chemical
Name: 1,3,5-Trinitrobenzene triphenylene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PVVBGS01
Authors/Journal
Authors: S.Yamaguchi, M.Goto, H.Takayanagi, H.Ogura
Chemical
Name: Phenanthrene picric acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PXYHFB
Authors/Journal
Authors: T.Dahl
Chemical
Name: p-Xylene-hexafluorobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.8
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PXYHFB04
Authors/Journal
Authors: J.K.Cockcroft, J.G.Y.Li, J.H.Williams
Chemical
Name: 1,4-dimethylbenzene hexafluorobenzene
Synonym: p-xylene hexafluorobenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.76
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PXZOXY
Authors/Journal
Authors: H.R.Allcock, R.W.Allen, E.C.Bissell, L.A.Smeltz, M.Teeter
Chemical
Formula: C18 H12 N3 O6 P3,C8 H10
Name: tris(o-Phenylenedioxy)cyclotriphosphazene o-xylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PYMAST
Authors/Journal
Authors: T.Kodama, S.Kumakura
Chemical
Name: Pyromellitic dianhydride-trans-stilbene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 12.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PYOCHP
Authors/Journal
Authors: J.Almlof, A.Kvick, I.Olovsson
1201, 1971
Chemical
Name: 2-Pyridone-6-chloro-2-hydroxypyridine complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: H5 y 0.0910, not -0.0910
REFCODE: PYOTCA10
Authors/Journal
Authors: L.Golic, F.Lazarini
Journal: Vestn.Slov.Kem.Drus.(Bull.Slovenian Chem.Soc.) , 21, 17, 1974
Chemical
Name: Pyridine N-oxide trichloroacetic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.5
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PYRBPC
Authors/Journal
Authors: F.H.Herbstein, M.Kaftory
68, 1975
Chemical
Formula: 1.5(C16 H10),C6 H2 Br1 N3 O6
Name: Pyrene-picryl bromide complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: NO GEOMETRY IS GIVEN FOR THE [PYRENE] MOIETY
REFCODE: PYRBZQ
Authors/Journal
Authors: J.Bernstein, H.Regev, F.H.Herbstein, P.Main, S.H.Rizvi,
K.Sasvari, B.Turcsanyi
Journal: Proc.R.Soc.London,Ser.A , 347, 419, 1975
Chemical
Name: Pyrene-p-benzoquinone complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PYRCBZ
Authors/Journal
Authors: C.K.Prout, T.Morley, I.J.Tickle, J.D.Wright
Chemical
Name: Pyrene-1,2,4,5-tetracyanobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.1
Temperature: 290
Intensity Meas: 1
Disorder:
CCDC Notes:
REFCODE: PYRCBZ03
Authors/Journal
Authors: Kun Liu, Yilong Lei, Hongbing Fu
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile pyrene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PYRCLN
Authors/Journal
Authors: K.Prout, I.J.Tickle
Chemical
Name: Pyrene-chloroanil complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PYRCYE10
Authors/Journal
Authors: I.Ikemoto, H.Kuroda
383, 1968
Chemical
Name: Pyrene-tetracyanoethylene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PYRFLR
Authors/Journal
Authors: J.Bernstein, H.Regev
Chemical
Name: Pyrene tetrafluoro-p-benzoquinone
Synonym: Pyrene fluoranil
Source:
Colour: violet-grey
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PYRPCT02
Authors/Journal
Authors: U.Neupane, R.N.Rai
Chemical
Name: 2,4,6-trinitrophenol pyrene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 15.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PYRPMA01
Authors/Journal
Authors: F.H.Herbstein, J.A.Snyman
Journal: Philos.Trans.R.Soc.London,Ser.A , 264, 635, 1969
Chemical
Name: Pyrene-pyromellitic dianhydride complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 21.6
Temperature: 300
Intensity Meas: 1
Disorder:
CCDC Notes:
REFCODE: PYRPMA02
Authors/Journal
Authors: C.C.Allen, J.C.A.Boeyens, D.C.Levendis
Journal: S.Afr.J.Chem. , 42, 38, 1989
Chemical
Name: Pyromellitic dianhydride pyrene
Synonym:
Source:
Melting Point:
Colour: bright red
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information: single site, anisotropic model refinement
CCDC Notes:
REFCODE: PYRTCQ03
Authors/Journal
Authors: qichun zhang
Chemical
pyrene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PYRTNB
Authors/Journal
Authors: C.K.Prout, I.J.Tickle
Chemical
Name: Pyrene-1,3,5-trinitrobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: PYRTNB04
Authors/Journal
Authors: S.A.Rather, V.G.Saraswatula, D.Sharada, B.K.Saha
Chemical
Name: Pyrene 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.71
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QABZUQ
Authors/Journal
Authors: M.Baldrighi, P.Metrangolo, F.Meyer, T.Pilati, D.Proserpio,
G.Resnati, G.Terraneo
Chemical
Name: tetrakis(4-Pyridyl)cyclobutane bis(1,4-di-iodo-2,3,5,6-
tetrafluorobenzene)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.43
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QACBAZ
Authors/Journal
Authors: M.Baldrighi, P.Metrangolo, F.Meyer, T.Pilati, D.Proserpio,
G.Resnati, G.Terraneo
Chemical
Formula: C25 H24 N4 O4,2(C14 H2 F8 I2)
Name: tetrakis(4-Pyridyl)pentaerythritol bis(trans-1,2-bis-(2,3,5,6-
tetrafluoro-4-iodophenyl)ethylene)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.41
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QADGEH
Authors/Journal
Authors: T.Fujinawa, H.Goto, T.Naito, T.Inabe, T.Akutagawa, T.Nakamura
Chemical
Name: 1,6-Diaminopyrene p-bromanil
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QAFSEY
Authors/Journal
Authors: Shouwen Jin, Lanqing Wang, Hui Liu, Li Liu, Huan Zhang, Daqi
Wang, Minghui Li, Jianzhong Guo, Ming Guo
Chemical
Name: 3,5-dinitrobenzoic acid 4-(dimethylamino)benzaldehyde
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.4
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QAHNIZ
Authors/Journal
Authors: Shuzhen Li, Yanjun Lin, Dongpeng Yan
Chemical
Formula: C16 H12 O1,C7 H1 Br1 F4 O2
Name: 4-bromo-2,3,5,6-tetrafluorobenzoic acid 1-(9-anthryl)ethanone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.95
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QAHNOF01
Authors/Journal
Authors: Jing Wang, Shuping Xu, Aisen Li, Lei Chen, Weiqing Xu, Hongyu
Zhang
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 1-(anthracen-9-yl)ethan-1-
one
Synonym: 9-Acetylanthracene 1,2,4,5-tetracyanobenzene
Source:
Melting Point:
Colour: yellowish yellow
Extra Information:
Experimental
R-Factor (%): 4.77
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QAHNUL
Authors/Journal
Authors: Shuzhen Li, Yanjun Lin, Dongpeng Yan
Chemical
Formula: C16 H12 O1,C6 H2 F4 O2
Name: 1-(9-anthryl)ethanone 2,3,5,6-tetrafluorobenzene-1,4-diol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QAHSIB
Authors/Journal
Authors: Sung Hoon Kim, Woo Taik Lim, Nam Ho Heo
Chemical
Name: 2,3-Diaminonaphthalene chloranil
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.37
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: z(Cl2) is 0.4690, not 0.5690
REFCODE: QAKRIF
Authors/Journal
Authors: Jian Li
Chemical
Name: 3-(Methoxycarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic
acid 1,3-benzothiazol-2-amine
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.57
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QALDUE
Authors/Journal
Authors: H.Aghabozorg, S.Goodarzi, M.Mirzaei, B.Notash
Chemical
Name: Acridine benzene-1,3,5-tricarboxylic acid
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.92
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QANRUS
Authors/Journal
Authors: P.Cardillo, E.Corradi, A.Lunghi, S.V.Meille, M.T.Messina,
P.Metrangolo, G.Resnati
Chemical
Name: 4,4'-bipyridyl 1,6-diiodo-perfluorofluorohexane
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QAPNAZ
Authors/Journal
Authors: Qing Ma, Tao Jiang, Yu Chi, Ya Chen, Jun Wang, Jinglun Huang,
Fude Nie
Chemical
Name: 1-methyl-3,4,5-trinitro-1H-pyrazole 2,4,6,8,10,12-hexanitro-
2,4,6,8,10,12-hexaazatetracyclo[5.5.0.0$3,11!.0$5,9!]dodecane
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QARGIZ
Authors/Journal
Authors: E.L.Rimmer, R.D.Bailey, T.W.Hanks, W.T.Pennington
Chemical
Formula: 2(C13 H9 N1),3(I2)
Name: bis(Acridine) tris(iodine)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 2.11
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QARGOF
Authors/Journal
Chemical
Formula: 2(C13 H8 Cl1 N1),3(I2)
Name: bis(9-Chloroacridine) tris(iodine)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 8.14
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x coordinates of I2 and I5 should be 0.6018 and 0.3632 (not
0.06018 and 0.03632)
REFCODE: QARGUL
Authors/Journal
Chemical
Formula: 2(C13 H8 Cl1 N1),I2
Name: bis(9-Chloroacridine) iodine
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 2.71
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QARWUC
Authors/Journal
Authors: M.Gdaniec, I.Bensemann, T.Polonski
Chemical
Name: N,N'-bis(2-Pyridyl)-1,4-diaminobenzene tetrakis(phenazine)
Synonym:
Source:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QARXAJ
Authors/Journal
Chemical
Name: N,N'-bis(2-Pyridyl)-4,4'-oxybis(aminobenzene) bis(phenazine)
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QARXOX
Authors/Journal
Chemical
Name: N,N'-Diphenyl-1,4-diaminobenzene phenazine
Synonym:
Source:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QASHEX
Authors/Journal
Authors: G.Bettinetti, M.R.Caira, A.Callegari, M.Merli, M.Sorrenti,
C.Tadini
Chemical
Name: 5-((3,4,5-Trimethoxyphenyl)methyl)pyrimidine-2,4-diamine
sulfamethoxypyridazine
Synonym: Trimethoprim sulfamethoxypyridazine
Source:
Colour: colorless
Extra Information: trimethoprim is an antifolate drug
Experimental
R-Factor (%): 5.73
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QASTUZ
Authors/Journal
Authors: J.W.Skiles, P.P.Giannousis, K.R.Fales
Chemical
Name: cis-(+)-Diethyl (2-carbamoylpiperidin-4-ylmethyl)phosphonate
bis(p-toluoyl)-L-tartaric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.3
Temperature: 295
Density (CCDC): 1.2
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: z(C18) is 0.0317, not 0.0327 as given in the supp. data
REFCODE: QAXZUN
Authors/Journal
Authors: A.Nunez-Montenegro, S.Argibay-Otero, R.Carballo, Ana Grana,
E.M.Vazquez-Lopez
Chemical
Name: bis(2-[(2,4-dihydroxyphenyl)methylidene]-N-methylhydrazine-1-
carbothioamide) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QAYBAW
Authors/Journal
E.M.Vazquez-Lopez
Chemical
carbothioamide) 4,4'-(ethene-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QAYBAW01
Authors/Journal
E.M.Vazquez-Lopez
Chemical
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QAYBEA
Authors/Journal
E.M.Vazquez-Lopez
Chemical
Name: 2-[1-(2,4-dihydroxyphenyl)ethylidene]hydrazine-1-
carbothioamide 4,4'-(ethene-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QAYYUN
Authors/Journal
Authors: M.A.Solomos, T.A.Watts, J.A.Swift
Chemical
Formula: C18 H15 O1 P1,C14 H11 F3 N2 O1
Name: N-phenyl-N'-[2-(trifluoromethyl)phenyl]urea oxo(triphenyl)-
phosphane
Synonym: triphenylphosphine oxide 1-(o-trifluoromethylphenyl)-3-
phenylurea
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QAYZUO
Authors/Journal
Authors: M.A.Solomos, T.A.Watts, J.A.Swift
Chemical
Name: N-(4-cyanophenyl)-N'-phenylurea oxo(triphenyl)-phosphane
Synonym: triphenylphosphine oxide 1-(p-cyanophenyl)-3-phenylurea
Source:
Melting Point:
Colour: beige
Extra Information:
Experimental
R-Factor (%): 2.46
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QECNEU
Authors/Journal
Authors: H.P.Kalmode, P.M.Bhate
Chemical
Formula: 2(C15 H20 O5),C14 H18 O5
Name: bis(3R,4aS,6aS,6bR,9aR,10aR,10bR)-bis(3,8,8-trimethyl-
3,4,4a,6a,6b,9a,10a,10b-octahydro-5H,8H-[1,3]dioxolo[4,5]furo[3,2-c][2]benzopyran-
5-one) (3R,4aS,6aS,6bR,9aR,10aR,10bR)-8,8-dimethyl-3,4,4a,6a,6b,9a,10a,10b-
octahydro-5H,8H-[1,3]dioxolo[4,5]furo[3,2-c][2]benzopyran-5-one
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.45
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QEDFEK
Authors/Journal
Authors: A.Camerman, D.Mastropaolo, A.Hempel, N.Camerman
Chemical
Name: 5,5-Diphenylbarbituric acid 9-ethyladenine
Synonym:
Source:
Melting Point:
Colour:
Extra Information: Diphenylbarbituric acid has anticonvulsant activity
Experimental
R-Factor (%): 6.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QEGKAO
Authors/Journal
Authors: T.D.Petrova, V.E.Platonov, I.V.Kolesnikova, T.V.Ribalova,
I.Yu.Bagryanskaya, Yu.V.Gatilov
Chemical
Name: Benzamide N-(pentafluorophenyl)urea
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.94
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The space group is P-1 as given in the supplementary data, not
P1 as given in the paper
REFCODE: QEKFOE
Authors/Journal
Authors: Qiaohong Du, Xinnuo Xiong, Zili Suo, Peixiao Tang, Jiawei He,
Xia Zeng, Quan Hou, Hui Li
Chemical
Name: 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QEKGAR
Authors/Journal
Authors: Qiaohong Du, Xinnuo Xiong, Zili Suo, Peixiao Tang, Jiawei He,
Xia Zeng, Quan Hou, Hui Li
Chemical
Name: 4-[3,5-bis(2-hydroxyphenyl)-1H-1,2,4-triazol-1-yl]benzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QEMBOC10
Authors/Journal
Authors: L.O.Alimi, P.Lama, V.J.Smith, L.J.Barbour
Chemical
Name: bis(4-(dimethylamino)benzonitrile) 4-aminobenzonitrile
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.27
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QENFAQ
Authors/Journal
Authors: N.Kihara, Y.Tachibana, H.Kawasaki, T.Takata
Chemical
Name: (Dibenzo(b,n)-24-crown-8) 1-(acetyl(3,5-
dimethylbenzyl)aminomethyl)-4-(3,5-dimethylbenzoyloxymethyl)benzene rotaxane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.7
Temperature: 295
Density (CCDC): 1.2
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QENHAS
Authors/Journal
Authors: A.Arduini, V.Bohmer, L.Delmau, J.-F.Desreux, J.-F.Dozol,
M.A.G.Carrera, B.Lambert, C.Musigmann, A.Pochini, A.Shivanyuk, F.Ugozzoli
Chemical
Formula: C20 H16 N1 O5 P1,C6 H5 N1 O3
Name: p-Nitrophenyl (diphenylphosphinoyl)acetate p-nitrophenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QERCAS
Authors/Journal
Chemical
Name: 1,4-bis(Carboxylatomethyl)-1,4-dimethylpiperazinium bis(p-
hydroxybenzoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QEVMEJ
Authors/Journal
Authors: S.P.Ponomarenko, Yu.Ya.Borovikov, V.P.Kukhar'
Chemical
Name: 2,6-Dimethylpyridine-N-oxide succinic acid
Synonym: Poteitin
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.19
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Cell angle beta is 86.14 as given in the supplementary data,
not 68.1 as given in the paper
REFCODE: QEVSUF
Authors/Journal
Authors: Dae-Hyun Kim, Heung-Sae Lee, Jaejung Ko, K.Park, Sung-Il Cho,
Jeong-In Shon, Sang Ook Kang
Journal: Bull.Korean Chem.Soc. , 20, 600, 1999
Chemical
Formula: C11 H31 B10 P1,H1 Br1
Name: 1-(Di-t-butylphosphinomethyl)-1,2-dicarba-closo-
dodecaborane(12) hydrobromide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.29
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QEVSUF01
Authors/Journal
Authors: R.E.Marsh
Chemical
Formula: C11 H31 B10 P1,H1 Br1
Name: 1-(Di-t-butylphosphinomethyl)-1,2-dicarba-closo-
dodecaborane(12) hydrobromide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QEVWEW
Authors/Journal
Authors: Lili Li, Wen Xin Wu, Zheng Fei Liu, Wei Jun Jin
Chemical
Name: pyrene 1,3,5-trifluoro-2,4,6-triiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.11
Temperature: 285
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QEVXOH
Authors/Journal
Authors: Lili Li, Wen Xin Wu, Zheng Fei Liu, Wei Jun Jin
Chemical
Formula: C16 H10,C6 Br3 F3
Name: pyrene 1,3,5-tribromo-2,4,6-trifluorobenzene
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 8.24
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIBCEM
Authors/Journal
Authors: M.Alsubaie, M.Aljohani, A.Erxleben, P.McArdle
Chemical
Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide 4-
phenylpyridine
Synonym: sulfamethoxazole 4-phenylpyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIBCIQ
Authors/Journal
Chemical
Formula: 2(C10 H11 N3 O3 S1),3(C10 H8 N2)
Name: bis(4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide)
tris(4,4'-bipyridine)
Synonym: bis(sulfamethoxazole) tris(4,4'-bipyridine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.05
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIBCOW
Authors/Journal
Chemical
Name: 4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide
4,4'-(propane-1,3-diyl)dipyridine
Synonym: sulfamethoxazole 1,3-di(4-pyridyl)propane
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.24
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIDVUX
Authors/Journal
Authors: D.Marappana, M.Palanisamy, K.Velappan, N.Muthukumaran,
P.Ganesan
Chemical
Formula: C17 H19 N3,C18 H16 O1 Si1
Name: triphenylsilanol N$3!,N$3!,N$6!,N$6!-tetramethylacridine-3,6-
diamine
Synonym:
Source:
Melting Point:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 6.23
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIGVEH
Authors/Journal
Chemical
Name: 1,3-dimethylbarbituric acid o-nitrophenylhydrazine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIGVIL
Authors/Journal
Chemical
Name: 1,3-Dimethyibarbituric acid p-nitroaniline
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.26
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIGVOR
Authors/Journal
Chemical
Name: 1,3-dimethylbarbituric acid 2,6-diamino-4-phenyl-1,3,5-
triazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.57
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIHBAK
Authors/Journal
Authors: R.B.Walsh, C.W.Padgett, P.Metrangolo, G.Resnati, T.W.Hanks,
W.T.Pennington
Chemical
Name: 4,4'-bipyridine 1,4-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 1.97
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIHBEO
Authors/Journal
W.T.Pennington
Chemical
Name: 4,4'-bipyridine 1,4-diiodotetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.62
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIHBEO01
Authors/Journal
Authors: M.T.Messina, P.Metrangolo, W.Panzeri, T.Pilati, G.Resnati
Chemical
Name: 4,4'-Bipyridine 1,4-di-iodotetrafluorobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.87
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIHBEO04
Authors/Journal
Authors: Aisen Li
Chemical
Name: 4,4'-bipyridine 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIHBIS
Authors/Journal
W.T.Pennington
Chemical
Name: 4,4'-bipyridine tetraiodoethylene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.44
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIHBOY
Authors/Journal
W.T.Pennington
Chemical
Name: 1,2-bis(4-pyridyl)ethylene bis(diiodide)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.08
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIHCAL
Authors/Journal
W.T.Pennington
Chemical
Name: (E)-1,2-bis(4-pyridyl)ethylene 1,4-diiodotetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.38
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIHCAL03
Authors/Journal
Chemical
Name: (E)-1,2-bis(4-Pyridyl)ethene 1,4-di-iodo-2,3,5,6-
tetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.76
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIHCEP
Authors/Journal
W.T.Pennington
Chemical
Name: 1,2-bis(4-pyridyl)ethylene tetraiodoethylene
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIHCIT
Authors/Journal
W.T.Pennington
Chemical
Name: hexamethylethylenetetramine 1,4-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.18
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIHCOZ
Authors/Journal
W.T.Pennington
Chemical
Name: Hexamethylenetetramine 1,4-di-iodotetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.72
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIHDAM
Authors/Journal
W.T.Pennington
Chemical
Formula: C12 H12 N2,C6 Br2 F4
Name: 1,2-bis(4-pyridyl)ethane 1,4-dibromotetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.77
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIJCUH01
Authors/Journal
Chemical
Name: 4,4'-Bipyridine 2,5-dihydroxy-1,4-benzoquinone
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 6.12
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QILZIX
Authors/Journal
Authors: N.Tumanova, N.Tumanov, F.Fischer, F.Morelle, V.Ban, K.Robeyns,
Y.Filinchuk, J.Wouters, Franziska Emmerling, T.Leyssens
Chemical
Name: (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid bis((2S)-
pyrrolidin-1-ium-2-carboxylate)
Synonym: (S)-naproxen bis(L-proline)
Source:
Melting Point:
Colour: colorless
Extra Information: absolute configuration; for stereoisomer see [QILZET],
[QIMBOG]; naproxen is a nonsteroidal anti-inflammatory drug
Experimental
R-Factor (%): 4.04
Temperature: 295
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QILZOA
Authors/Journal
Authors: A.Sato, M.Okada, K.Saito, M.Sorai
Chemical
Name: trans-stilbene 2,2'-(2,3,5,6-tetrafluorobenzene-1,4-
diylidene)propanedinitrile
Synonym:
Source:
Melting Point:
Colour: green
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QILZOD
Authors/Journal
Chemical
Name: bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid) (2R)-
pyrrolidin-1-ium-2-carboxylate (2S)-pyrrolidin-1-ium-2-carboxylate
Synonym: (S)-naproxen (DL)-proline
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [FEVZOX], [FEVZUD], [QIMBAS], [QIMBEW],
[QIMCOH]; naproxen is a nonsteroidal anti-inflammatory drug
Experimental
R-Factor (%): 4.74
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIMBAS
Authors/Journal
Chemical
Name: (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid (2S)-2-(6-
methoxynaphthalen-2-yl)propanoic acid bis((2R)-pyrrolidin-1-ium-2-carboxylate)
Synonym: (RS)-naproxen (D)-proline
Source:
Colour: colorless
Extra Information: for stereoisomer see [FEVZOX], [FEVZUD], [QILZOD], [QIMBEW],
[QIMCOH]; naproxen is a nonsteroidal anti-inflammatory drug
Experimental
R-Factor (%): 6.4
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIMHOJ
Authors/Journal
Authors: S.Kashino, T.Fukunaga, H.Izutsu, S.Miyashita
Chemical
Name: bis(2-pyridone) oxalic acid
Synonym: bis(2-oxopyrimidine) ethanedioic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIMHUP
Authors/Journal
Chemical
Name: bis(2-pyridone) trans-beta-hydromuconic acid
Synonym: bis(2-oxopyrimidine) trans-hex-3-enedioic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIMJAX
Authors/Journal
Chemical
Name: 2-Oxopyrimidine trans-pent-2-enedioic acid
Synonym: 2-Pyridone trans-glutaconic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QINDOI
Authors/Journal
Authors: E.Espinosa, P.Auban-Senzier, O.Jeannin, J.Lieffrig,
A.Frackowiak, I.Olejniczak, R.Swietlik, S.Dahaoui, E.Aubert, M.Fourmigue
Chemical
Formula: 2(C8 H4 I2 S6),C12 H2 F2 N4
Name: 2,2'-(2,5-Difluorocyclohexa-2,5-diene-1,4-
diylidene)dimalononitrile bis(2-(4,5-di-iodo-1,3-dithiol-2-ylidene)-5,6-
dihydro[1,3]dithiolo[4,5-b][1,4]dithiine)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QINPEK
Authors/Journal
Authors: E.Espinosa, P.Auban-Senzier, O.Jeannin, J.Lieffrig,
A.Frackowiak, I.Olejniczak, R.Swietlik, S.Dahaoui, E.Aubert, M.Fourmigue
Chemical
Formula: 2(C8 H4 I2 S6),C12 H4 N4
Name: 2,2'-Cyclohexa-2,5-diene-1,4-diylidenedimalononitrile bis(2-
(4,5-di-iodo-1,3-dithiol-2-ylidene)-5,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiine)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QINQOV
Authors/Journal
Authors: H.Mendez, G.Heimel, A.Opitz, K.Sauer, P.Barkowski, M.Oehzelt,
J.Soeda, T.Okamoto, Jun Takeya, J.-B.Arlin, J.-Y.Balandier, Y.Geerts, N.och, Ingo
Salzmann
Chemical
diylidene)dimalononitrile 2,7-didecyl[1]benzothieno[3,2-b][1]benzothiophene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.82
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QINRAI01
Authors/Journal
Authors: H.Mendez, G.Heimel, A.Opitz, K.Sauer, P.Barkowski, M.Oehzelt,
J.Soeda, T.Okamoto, Jun Takeya, J.-B.Arlin, J.-Y.Balandier, Y.Geerts, N.och, Ingo
Salzmann
Chemical
Name: 2,2'-Cyclohexa-2,5-diene-1,4-diylidenedimalononitrile 2,7-
didecyl[1]benzothieno[3,2-b][1]benzothiophene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIRNUC
Authors/Journal
Authors: N.S.Sowmya, Y.Vidyalakshmi, S.Sampathkrishnan, T.Srinivasan,
D.Velmurugan
Chemical
Name: Pyrrolidinium-2-carboxylate bis(4-nitrophenol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QISMIQ
Authors/Journal
Authors: Lin-Heng Wei, Zi-Liang Wang, Ming-Xue Li
Chemical
Name: 3-((4-Carboxyphenoxy)methyl)benzoic acid 4,4'-propane-1,3-
diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIVPUJ
Authors/Journal
Authors: A.Goswami, M.Garai, K.Biradha
Chemical
Formula: C18 H18 N4 O2,2(I2)
Name: N,N'-(ethane-1,2-diyl)bis[3-(pyridin-3-yl)prop-2-enamide]
bis(di-iodine)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIXVUO
Authors/Journal
Authors: N.B.Singh, A.Srivastava, R.Frohlich
Chemical
Name: 8-Hydroxyquinoline 2,4,5-trichlorophenol
Synonym: PDB Chemical Component code: TC7
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.14
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QIZLES01
Authors/Journal
Authors: Varshni Singh, F.R.Fronczek, S.F.Watkins
Chemical
Name: 9H-Fluoren-9-one 9,9'-ethyne-1,2-diylbis(9H-fluoren-9-ol)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.39
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QIZLET
Authors/Journal
Authors: Deng Linxin, Kuang Xinya, Yang Huarong, Li Song
Chemical
Name: bis(1H-indole-5-carboxylic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.38
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QMEPHE
Authors/Journal
Authors: A.W.Hanson
Chemical
Name: 7,7,8,8-Tetracyanoquinodimethane-N,N,N',N'-tetramethyl-p-
phenylenediamine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.3
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QOBCOB
Authors/Journal
Authors: K.Radhakrishnan, N.Sharma, L.M.Kundu
Chemical
Name: 2-amino-6-phenylpyrimidin-4(3H)-one 4-aminopyrimidin-2(1H)-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.01
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOBZOW
Authors/Journal
Authors: G.P.Bartholomew, Xianhui Bu, G.C.Bazan
Chemical
Formula: C26 H28 N2,C22 H6 F12
Name: 1,4-bis(4-(Dimethylamino)styryl)benzene 1,4-
bis(pentafluorostyryl)-2,5-difluorobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.84
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QOFXUE
Authors/Journal
Authors: O.J.Dautel, M.Fourmigue
Chemical
Formula: C9 H6 F2 S6,C12 F4 N4
Name: (2,2-difluoro-1,3-propylenedithio)tetrathiafulvalene
tetrafluorotetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.49
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QOLMIP
Authors/Journal
Authors: Yan Li, Chun-Hua Huang, Yu-Xiang Liu, Li Mao, Ben-Zhan Zhu
Chemical
Name: 3,4,5,6-Tetrachlorobenzene-1,2-diol 5,6-dimethyl-1,10-
phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLMOV
Authors/Journal
Chemical
Name: 3,4,5,6-Tetrabromobenzene-1,2-diol 2,9-dimethyl-1,10-
phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLNAI
Authors/Journal
Chemical
Name: 3,5-Dichlorobenzene-1,2-diol 2,9-dimethyl-1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.32
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLNEM
Authors/Journal
Chemical
Name: 4,5-Dichlorobenzene-1,2-diol 2,9-dimethyl-1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLPUF
Authors/Journal
Authors: Shuxiang Fan, Y.Kiyota, K.Iijima, Suho Ryo, T.Kawamoto, Yann
Le Gal, D.Lorcy, T.Mori
Chemical
Name: 3-ethyl-5-[3-ethyl-2,4-bis(sulfanylidene)-1,3-thiazolidin-5-
ylidene]-1,3-thiazolidine-2,4-dithione pyrene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLQAM
Authors/Journal
Chemical
Formula: C24 H12,C10 H10 N2 S6
ylidene]-1,3-thiazolidine-2,4-dithione coronene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.38
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLQEQ
Authors/Journal
Chemical
Name: 3-propyl-5-[3-propyl-2,4-bis(sulfanylidene)-1,3-thiazolidin-5-
ylidene]-1,3-thiazolidine-2,4-dithione pyrene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLQIU
Authors/Journal
Chemical
Name: 3-propyl-5-[3-propyl-2,4-bis(sulfanylidene)-1,3-thiazolidin-5-
ylidene]-1,3-thiazolidine-2,4-dithione perylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.56
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLQOA
Authors/Journal
Chemical
Formula: C10 H10 N2 O2 S4,C16 H10
Name: 3-ethyl-5-(3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-
ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one pyrene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.96
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLQUG
Authors/Journal
Chemical
Formula: C20 H12,C10 H10 N2 O2 S4
ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one perylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.67
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLRAN
Authors/Journal
Chemical
Name: 5-(4-oxo-3-propyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-
3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one perylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.96
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLRER
Authors/Journal
Chemical
ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one pyrene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLRIV
Authors/Journal
Chemical
ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one perylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.45
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLROB
Authors/Journal
Chemical
ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one coronene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.55
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLRUH
Authors/Journal
Chemical
Formula: C20 H12,C10 H10 N2 S6
ylidene]-1,3-thiazolidine-2,4-dithione perylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLSAM
Authors/Journal
Authors: Shiyong Zhang, Yurong Tang, Zhihua Mao, Mingliang Li, Jingbo
Lan, Xiaoyu Su
Chemical
Name: 1,4-bis(Imidazol-1-yl)benzene terephthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOLSAM01
Authors/Journal
Authors: Fanxing Meng, Yuhua Li, Xin Liu, Bao Li, Liyan Wang
Chemical
Name: 1,1'-(1,4-phenylene)bis-1H-imidazole terephthalic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOMFEG
Authors/Journal
Authors: Jinhao Zhang, Bo Jin, Rufang Peng, Chunhuan Niu, Lipengcheng
Xiao, Zhicheng Guo, Qingchun Zhang
Chemical
Name: 1H,1'H-[5,5'-bitetrazole]-1,1'-diol 4H-pyrazol-4-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QONYUP
Authors/Journal
Authors: N.Goel, U.P.Singh
Chemical
Name: 2,4,6-Trinitrophenol 1,3,5,7-tetra-
azatricyclo[3.3.1.1$3,7!]decane
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOQBIJ
Authors/Journal
Authors: M.R.Shimpi, S.L.Childs, D.Bostrom, S.P.Velaga
Chemical
Name: 1-(4-fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-
(4-hydroxyphenyl)azetidin-2-one 1H-imidazole
Synonym: Ezetimibe-Imidazole
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [KEFWEA]
Experimental
R-Factor (%): 6.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOQJOX
Authors/Journal
Authors: Lei Wang, Lei Zhao, Meng Liu, Fa Qian Liu, Qiang Xiao, Zhi
Qiang Hu
Chemical
Name: 4-hydroxy-3-methoxybenzoic acid 4,4'-methylenedianiline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOQKEO
Authors/Journal
Yang
Chemical
Name: 2-hydroxy-3-methylbenzoic acid 1H-benzotriazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOQKOY
Authors/Journal
Yang
Chemical
Name: 4-hydroxybenzoic acid bis(1H-benzotriazole)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOSWUT
Authors/Journal
Authors: D.Das, K.Biradha
Chemical
Name: 1-methyl-3,5-bis[(pyridin-4-yl)methylidene]piperidin-4-one
benzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOSXAA
Authors/Journal
Authors: D.Das, K.Biradha
Chemical
Name: 1-methyl-3,5-bis[(pyridin-4-yl)methylidene]piperidin-4-one 5-
methoxybenzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOVHOZ
Authors/Journal
Chemical
Name: bis(1-Naphthol) trans-1,2-bis(4-pyridyl)ethene
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.07
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QOXMAS
Authors/Journal
Authors: N.Vanthuyne, F.Andreoli, S.Fernandez, M.Roman, C.Roussel
Journal: Lett.Org.Chem. , 2, 433, 2005
Chemical
Name: 3-(2-Methoxyphenyl)-4-methyl-2-thioxo-2,3-dihydro-1,3-thiazol-
1-ium-5-carboxylate cinchonine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QQQEYV01
Authors/Journal
Authors: S.Kiryu
Chemical
Name: Aminopyrine barbital
Synonym: Aminophenazone barbital
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.8
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QQQEYV10
Authors/Journal
Authors: U.Patel, T.P.Singh
Journal: Indian J.Phys.,A , 59, 185, 1985
Chemical
Name: 1-Phenyl-2,3-dimethyl-4-dimethylamino-1,2-diazacyclopent-3-en-
5-one 5,5'-diethylbarbituric acid
Synonym: Amidopyrine barbital; Aminophenazone barbital
Source:
Melting Point:
Colour: colorless
Extra Information: analgesic agent
Experimental
R-Factor (%): 8.8
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes: C12-C13 is given as 1.30, we calculate 1.38
REFCODE: QUBQAF
Authors/Journal
Authors: T.Obata, T.Shimo, M.Yasutake, T.Shinmyozu, M.Kawaminami,
R.Yoshida, K.Somekawa
Chemical
Name: 4-Benzyloxy-6-methyl-2-pyrone maleimide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.35
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUBQEJ
Authors/Journal
Authors: T.Obata, T.Shimo, M.Yasutake, T.Shinmyozu, M.Kawaminami,
R.Yoshida, K.Somekawa
Chemical
Name: 4-(4-Methylbenzyloxy)-6-methyl-2-pyrone maleimide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.45
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUCXES
Authors/Journal
Authors: Jing Sun, Er-Yan Xia, Li-Li Zhang, Chao-Guo Yan
Chemical
Formula: C19 H14 Cl1 F1 N4 O2 S1,C3 H7 N1 O1
Name: 5-Amino-N-((4-chlorophenyl)carbamoyl)-4-cyano-3-(4-
fluorophenyl)-2,3-dihydrothiophene-2-carboxamide N,N-dimethylformamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.42
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUCXIW
Authors/Journal
Chemical
Name: 5-Amino-4-cyano-3-(4-methoxyphenyl)-N-(1-naphthylcarbamoyl)-
2,3-dihydrothiophene-2-carboxamide N,N-dimethylformamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.84
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUCXOC
Authors/Journal
Chemical
Name: 5-Amino-N-((3-chlorophenyl)carbamoyl)-4-cyano-3-(4-
methoxyphenyl)-2,3-dihydrothiophene-2-carboxamide N,N-dimethylformamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.48
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUCXUI
Authors/Journal
Chemical
Name: 5-Amino-4-cyano-3-phenyl-N-(phenylcarbamoyl)-2,3-
dihydrothiophene-2-carboxamide N,N-dimethylformamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.55
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUETHU
Authors/Journal
Authors: G.Weber, W.Saenger
424, 1980
Chemical
Name: bis((8-Quinolyl-oxy)-ethoxy-ethyl)ether thiourea
Synonym:
Source:
Melting Point: 415K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QUFJIL
Authors/Journal
Authors: M.Vysvaril, D.Dastych, J.Taraba, M.Necas
Chemical
Formula: C24 H36 N3 O7 P1,C8 H13 N1 O2
Name: 1,1',1''-Phosphoryl-tris(3,3,4,4-tetramethylpyrrolidine-2,5-
dione) 3,3,4,4-tetramethylpyrrolidine-2,5-dione
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUGNEO
Authors/Journal
Authors: G.Bujacz
Chemical
Name: N-({3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-
oxazolidin-5-yl}methyl)acetamide benzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUGNUE
Authors/Journal
Authors: G.Bujacz
Chemical
Name: N-({3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-
oxazolidin-5-yl}methyl)acetamide 2,6-dihydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUHHUZ
Authors/Journal
Authors: Wenjie Kuang, Shaochang Ji, Yufeng Wei, Jinyan Zhang, Ping Lan
Chemical
Name: 3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione 6-(2,3-
dichlorophenyl)-1,2,4-triazine-3,5-diamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUHRAO
Authors/Journal
Authors: A.S.Sinha, U.B.Rao Khandavilli, E.L.OConnor, B.J.Deadman,
A.R.Maguire, S.E.Lawrence
Chemical
Name: 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid nicotinamide
Synonym: sinapic acid nicotinamide
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.36
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUIDON
Authors/Journal
Authors: T.Sakurai
Chemical
Name: Quinhydrone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.1
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QUIDON01
Authors/Journal
Authors: T.Sakurai
403, 1968
Chemical
Name: Quinhydrone
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.4
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QUIDON02
Authors/Journal
Authors: H.Matsuda, K.Osaki, I.Nitta
Chemical
Name: Quinhydrone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 12.4
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QUMDAD
Authors/Journal
Authors: O.D.Fox, T.D.Rolls, M.G.B.Drew, P.D.Beer
Chemical
Name: 1,10-Diethyl-2,9,11,18,19,26(2,5)-hexapyrrola-
1,4,7,10,13,16,21,24-octa-azabicyclo(8.8.8)hexacosaphane-3,7,12,16,20,24-hexaene
ethane-1,2-diamine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: According to the chemistry represented in the paper, it
appears that atoms N1 and N14 should be carbon atoms; we have re-labelled them as
such
REFCODE: QUMDEJ
Authors/Journal
Authors: Hongmin Su, Hongming He, Yuyang Tian, Nian Zhao, Fuxing Sun,
Xiaoming Zhang, Qing Jiang, Guangshan Zhu
Chemical
Name: 5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-
3-one 4,4'-bipyridine-N,N'-dioxide
Synonym: Curcumin 4,4'-bipyridine-N,N'-dioxide; JUC-C14
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUOLUR
Authors/Journal
Authors: M.M.Mahmoud, S.C.Wallwork
338, 1975
Chemical
Name: Quinol-urea
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: QUPNAQ
Authors/Journal
Authors: T.Asari, N.Kobayashi, T.Naito, T.Inabe
Chemical
Name: 6,12-Dioxa-anthanthrene bis(2,4,6-trinitrophenol)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.68
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUQPAV
Authors/Journal
Authors: D.P.Ericson, Z.P.Zurfluh-Cunningham, R.H.Groeneman, E.Elacqua,
E.W.Reinheimer, B.C.Noll, L.R.MacGillivray
Chemical
Name: bis(methyl 3-(pyridin-3-yl)acrylate) 4,6-dibromobenzene-1,3-
diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.04
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUQPEZ
Authors/Journal
Authors: D.P.Ericson, Z.P.Zurfluh-Cunningham, R.H.Groeneman, E.Elacqua,
E.W.Reinheimer, B.C.Noll, L.R.MacGillivray
Chemical
Name: bis(methyl 3-(pyridin-3-yl)acrylate) 4,6-dichlorobenzene-1,3-
diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUSREC01
Authors/Journal
Authors: S.Mahapatra, T.S.Thakur, S.Joseph, S.Varughese, G.R.Desiraju
Chemical
Formula: 4(C14 H9 Cl1 F3 N1 O2),3(C6 H8 O2)
Name: tetrakis(6-chloro-4-(cyclopropylethynyl)-4-(trifluoromethyl)-
1,4-dihydro-2H-3,1-benzoxazin-2-one) tris(cyclohexane-1,4-dione)
Synonym: tetrakis(efavirenz) tris(cyclohexane-1,4-dione)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUVKIE
Authors/Journal
Authors: S.Suganya, A.Karthikeyan, V.Srimathi, P.Kumaradhas
Journal: Chem. Data Collect. , 29, 100521, 2020
Chemical
Name: hexa-2,4-dienoic acid 4-methoxy-6-methylpyrimidin-2-amine
Synonym: 2-amino-4-methoxy-6-methylpyrimidine sorbic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUWWAI
Authors/Journal
Authors: S.F.Alshahateet, M.M.Bhadbhade, R.Bishop, D.C.Craig,
M.L.Scudder
Chemical
Formula: C22 H12 Br4 N2 S1,0.5(C10 H20)
Name: 5,7,17,19-tetrabromo-25-thia-3,15-
diazahexacyclo[11.11.1.0$2,11!.0$4,9!.0$14,23!.0$16,21!]pentacosa-
2(11),3,5,7,9,14,16(21),17,19,22-decaene t-butylcyclohexane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUWXAI01
Authors/Journal
Authors: Chang-Yu Xiao, Hai-Yan Li, Yan-Hui Xu, Shu Li, Qi Chen, Jun-
Rui Li, Cai-Yan Cui, Long Niu, Ya-Min Li
Journal: J.Chem.Soc.Pak. , 36, 320, 2014
Chemical
Name: phthalic acid 6-methyl-1,3,5-triazine-2,4-diamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.98
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUWZEO
Authors/Journal
Authors: A.Czapik, M.Gdaniec
Chemical
Name: 2,3,5,6-Tetrafluorobenzene-1,4-diol pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUWZIS
Authors/Journal
Chemical
Name: 2,3,5,6-Tetrafluorobenzene-1,4-diol quinoxaline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.06
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUWZOY
Authors/Journal
Chemical
Formula: C6 H2 F4 O2,2(C12 H8 N2)
Name: 2,3,5,6-Tetrafluorobenzene-1,4-diol bis(phenazine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.13
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUXNUU
Authors/Journal
Authors: S.F.Alshahateet, M.M.Bhadbhade, R.Bishop, D.C.Craig,
M.L.Scudder
Chemical
Formula: C22 H12 Br4 N2 S1,C9 H12
Name: 5,7,17,19-tetrabromo-25-thia-3,15-
diazahexacyclo[11.11.1.0$2,11!.0$4,9!.0$14,23!.0$16,21!]pentacosa-
2,4,6,8,10,14,16,18,20,22-decaene mesitylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: QUYJEA
Authors/Journal
Authors: Fwu Ming Shen, Shie Fu Lush
Chemical
Name: bis(4-Aminobenzoic acid) 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.05
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RADFEI
Authors/Journal
Authors: D.E.Lynch, J.Barfield, J.Frost, R.Antrobus, J.Simmons
Chemical
Name: 2-Aminopyrimidine bis((2,6-dichlorophenoxy)acetic acid)
Synonym: PDB Chemical Component code: KNL
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.48
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Not CCDC 1294/219701 as published
REFCODE: RADFOS
Authors/Journal
Authors: D.E.Lynch, J.Barfield, J.Frost, R.Antrobus, J.Simmons
Chemical
Name: 4,4'-Bipyridine bis((2,6-dichlorophenoxy)acetic acid)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.27
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Not CCDC 1294/219703 as published
REFCODE: RADXIH
Authors/Journal
Authors: Xin Chen, Duanxiu Li, Zongwu Deng, Hailu Zhang
Chemical
Name: 2,5-dihydroxybenzoic acid 1-{4-[4-({2-(2,4-dichlorophenyl)-2-
[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methoxy)phenyl]piperazin-1-yl}ethan-1-
one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.43
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RADYAA
Authors/Journal
Authors: Xin Chen, Duanxiu Li, Zongwu Deng, Hailu Zhang
Chemical
Name: 3-(4-hydroxyphenyl)prop-2-enoic acid 1-{4-[4-({2-(2,4-
dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-
yl}methoxy)phenyl]piperazin-1-yl}ethan-1-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.61
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RAFBOP
Authors/Journal
Authors: E.N.Rassadkina, T.A.Batalova, V.K.Bel'sky, E.E.Nifant'ev
Chemical
Name: bis(2-Hydroxynaphthyl)methane 2-oxo-5,5-dimethyl-
1,3,2lambda$5!-dioxaphosphorinane
Synonym:
Source:
Melting Point: 434K
Colour:
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: structure published as a 1:2 complex
REFCODE: RAHHEN
Authors/Journal
Authors: H.Koshima, K.Matsushige, M.Miyauchi, J.Fujita
Chemical
Name: bis(Thien-2-yl)acetic acid phenanthridine
Synonym:
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RAHKUJ
Authors/Journal
Authors: R.Mekala, P.Jagdish, R.Mathammal, K.Sangeetha
Chemical
Name: pyridinium-2-carboxylate 4-nitroaniline
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.83
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RAHWUV
Authors/Journal
Authors: Z.Lipkowska
Chemical
Name: 3-aminopiperidin-2-one (2,2-dimethyl-1,3-dioxolane-4,5-
diyl)bis(diphenylmethanol)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.03
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RALVOS
Authors/Journal
Authors: Jingzhi Lu, N.S.Khetrapal, J.A.Johnson, Xiao Cheng Zeng, Jian
Zhang
Chemical
Formula: C40 H42,2(C6 H2 F4)
Name: 1,3,6,8-tetrakis(3,3-dimethylbut-1-yn-1-yl)pyrene bis(1,2,3,4-
tetrafluorobenzene)
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 13.81
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RALYOT
Authors/Journal
Authors: M.P.Sarmah, R.G.Gonnade, M.S.Shashidhar, M.M.Bhadbhade
Chemical
Name: rac-2,4-Di-O-benzoyl-myo-inositol 1,3,5 orthoformate rac-2,4-
di-O-benzoyl-myo-inositol 1,3,5 orthoacetate
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RAPHAR
Authors/Journal
Authors: C.V.K.Sharma, M.J.Zaworotko
Chemical
Formula: 2(C9 H6 O6),3(C10 H8 N2)
Name: bis(Benzene-1,3,5-tricarboxylic acid) tris(4,4'-bipyridine)
Synonym:
Source:
Melting Point: above 300 deg.C
Colour:
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RAPXAI
Authors/Journal
Chemical
Name: (+-)-1,8,9,16-Tetrahydroxytetraphenylene 4,4'-bipyridyl
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [MAQYAF]
Experimental
R-Factor (%): 4.11
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RAQVOU
Authors/Journal
Authors: E.Escudero, X.Vidal, X.Solans, E.Peggion, J.A.Subirana
Journal: J.Pept.Sci. , 2, 59, 1996
Chemical
Name: cyclo-bis(glycyl-alpha-aminoisobutyryl-glycyl) formic acid
Synonym: PEPSEQ C=6 GLY-AIB-GLY-GLY-AIB-GLY-
Source:
Melting Point:
Colour:
Extra Information: type I (one beta-turn) conformation
Experimental
R-Factor (%): 4.78
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RATBET
Authors/Journal
Authors: Y.In, H.Nagata, M.Doi, T.Ishida, A.Wakahara
Chemical
Name: bis(Anthranilic acid) picric acid
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RAVVUF
Authors/Journal
Authors: S.Limmatvapirat, K.Yamaguchi, E.Yonemochi, T.Oguchi,
K.Yamamoto
Chemical
Name: (3alpha,5beta,12alpha)-3,12-Dihydroxy-5-cholan-24-oic acid
salicylic acid
Synonym: Deoxycholic acid salicylic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.13
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RAVXOE
Authors/Journal
Chemical
Formula: C7 H4 Br2 O3,C5 H3 Br2 N1
Name: 3,5-dibromo-2-hydroxybenzoic acid 3,5-dibromopyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RAWBOG
Authors/Journal
Authors: G.Ferguson, P.I.Coupar, C.Glidewell
Chemical
Name: 1,4-Diazabicyclo(2.2.2)octane 4,4'-isopropylidenediphenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.87
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RAWCOH
Authors/Journal
Authors: P.I.Coupar, C.Glidewell, G.Ferguson
Chemical
Name: Hexamethylenetetramine 4,4'-thiodiphenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.23
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RAWCUN
Authors/Journal
Chemical
Name: Hexamethylenetetramine 4,4'-sulfonyldiphenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.21
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RAWDAU
Authors/Journal
Chemical
Name: Hexamethylenetetramine 4,4'-isopropylidenediphenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RAWDEY
Authors/Journal
Chemical
Name: bis(Hexamethylenetetramine) 1,1,1-tris(4-hydroxyphenyl)ethane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.36
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RAWDIC
Authors/Journal
Chemical
Formula: 3(C6 H12 N4),2(C6 H6 O3)
Name: tris(Hexamethylenetetramine) bis(1,3,5-trihydroxybenzene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.28
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RAWFAW
Authors/Journal
Authors: G.Ferguson, W.Bell, P.I.Coupar, C.Glidewell
Chemical
Formula: 3(C4 H10 N2),4(C20 H18 O3)
Name: tris(Piperazine) tetrakis(1,1,1-tris(4-hydroxyphenyl)ethane)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.42
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RAYLOS
Authors/Journal
Authors: M.L.Greer, S.C.Blackstock
Chemical
Formula: C14 H22 N2 O2,C6 N4
Name: trans-1,1'-Azonorbornane-N,N'-dioxide tetracyanoethene
Synonym:
Source:
Melting Point:
Colour: purple
Extra Information: sublimed at 160-170 deg.C
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RAZPUE
Authors/Journal
Authors: I.Fujii, H.Baba, Y.Takahashi
Chemical
Name: L-(R)-cysteine D-(R)-mandelic acid
Synonym:
Source:
Colour: colorless
Extra Information: for stereoisomer see [LAWKIE]
Experimental
R-Factor (%): 5.31
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RAZSUG
Authors/Journal
Authors: Y.Takemoto, S.Kuraoka, N.Hamaue, K.Aoe, H.Hiramatsu, C.Iwata
Chemical
Name: (-)-(S)-3,4,4,5-Tetramethylcyclohexa-2-en-1-one (-)-trans-
alpha,alpha'-(2,2-dimethyl-1,3-dioxolane-4,5-diyl)-bis(diphenylmethanol)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.13
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: REFCEK
Authors/Journal
Authors: S.Nakatsuji, A.Takai, K.Nishikawa, Y.Morimoto, N.Yasuoka,
K.Suzuki, T.Enoki, H.Anzai
Chemical
Formula: C9 H18 N1 O1,C12 F4 N4
Name: 2,2,6,6-Tetramethylpiperidinyloxy radical 2,3,5,6-tetrafluoro-
Synonym:
Source:
Colour: blue
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: REFPAT
Authors/Journal
Authors: S.E.Biali, V.Bohmer, S.Cohen, G.Ferguson, C.Gruttner,
F.Grynszpan, E.F.Paulus, I.Thondorf, W.Vogt
Chemical
Name: cis-25,26,27,28-Tetrahydroxy-5,11,17,23-tetramethyl-2,14-
bis(4-tolyl)calix(4)arene
Synonym:
Source:
Melting Point: 382deg.C (dec)
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: REFQEY
Authors/Journal
Authors: K.A.Hutchison, G.Srdanov, R.Menon, J.-C.P.Gabriel, B.Knight,
R.Wudl
Chemical
Formula: C19 H14 N3,2.5(C12 H4 N4)
Name: 1,3-Diphenylbenzo-1,2,4-triazine tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: REGCIR
Authors/Journal
Authors: Lihong Wang, Yibing Su, Xinmin Xu, Wei Zhang
Chemical
Name: 1'-Methyl-1'H-spiro[cyclohexane-1,4'-quinoline]-2',3'-dione
4'-amino-2'H-spiro[cyclohexane-1,1'-naphthalene]-2',3'(4'H)-dione
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.57
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes: The crystal appears to contain a mixture of a quinoline and
naphthalene derivative
REFCODE: REGKIX
Authors/Journal
Authors: R.F.M.Lange, F.H.Beijer, R.P.Sijbesma, R.W.W.Hooft,
H.Kooijman, A.L.Spek, J.Kroon, E.W.Meijer
Chemical
Name: Melamine bis(glutarimide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: REGKOD
Authors/Journal
Authors: R.F.M.Lange, F.H.Beijer, R.P.Sijbesma, R.W.W.Hooft,
H.Kooijman, A.L.Spek, J.Kroon, E.W.Meijer
Chemical
Name: Melamine succinimide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: REGKOD01
Authors/Journal
Authors: H.Tukada, Y.Mazaki
Chemical
Name: Melamine succinimide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: REGKUK
Authors/Journal
Authors: N.A.Razzakov, B.Tashkhodzhaev, S.F.Aripova, A.A.Tozhibaev
Journal: Khim.Prir.Soedin(Russ.)(Chem.Nat.Compd.) , , 46, 2005
Chemical
Name: trans-N,N-Dimethyl-4-hydroxy-L-proline urea
Synonym: Betonicin urea; PDB Chemical Component code: 0XW
Source: aerial part of Phlomis regelii
Melting Point: 235-236 deg. C
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: REGWIJ
Authors/Journal
Authors: Y.Ito, S.Endo, S.Ohba
Chemical
Name: 1,2,4,5-Tetracyanobenzene bis(benzyl cyanide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.15
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: REHMUM
Authors/Journal
Authors: H.Bock, W.Seitz, M.Sievert, M.Kleine, J.W.Bats
Journal: Liebigs Ann. , , 1929, 1996
Chemical
Name: Perylene 1,2,4,5-tetracyanobenzene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.32
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: REHNAT
Authors/Journal
Chemical
Name: 1,2,3,4-Tetracyanobenzene p-hydroquinone
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.37
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: REKNED
Authors/Journal
Authors: M.A.P.Martins, L.V.Rodrigues, A.R.Meyer, C.P.Frizzo, M.Horner,
N.Zanatta, H.G.Bonacorso, J.Berna, M.Alajarin
Chemical
Name: [2]-((N$1!,N$4!-dibenzyl-N$1!,N$4!-
bis(cyclohexylmethyl)butanediamide)-(3,11,18,26-
1(30),5(36),6,8,13,15,20(33),21,23,28,31,34-dodecaene-4,10,19,25-tetrone)) rotaxane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: REKNIH
Authors/Journal
Chemical
Name: [2]-((N$1!,N$1!,N$4!,N$4!-tetrakis(2-
methylpropyl)butanediamide)-(3,11,18,26-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.35
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: REKNON
Authors/Journal
Chemical
Name: [2]-((N$1!,N$1!,N$4!,N$4!-tetrabutylbutanediamide)-
(3,11,18,26-tetra-azapentacyclo[26.2.2.2$13,16!.1$5,9!.1$20,24!]hexatriaconta-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RELCUH
Authors/Journal
Authors: S.Satishkumar, M.Periasamy
Chemical
Name: (-)-(R,R)-2,8-Dimethyl-6H,12H-5,11-methanodibenzo(b,f)
(1,5)diazocine (-)dibenzoyl-L-tartaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: Cif has cell temperature 293 K, main diffraction temperature
273 K
REFCODE: RENPUV
Authors/Journal
Authors: I.V.Levakova, A.P.Korobko, S.V.Krasheninnikov, V.E.Zavodnik
Chemical
Name: 1,3,5,7-Tetranitro-1,3,5,7-tetra-azacyclo-octane bis(2,4-
dinitro-2,4-diazapentane)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RERNUZ
Authors/Journal
Authors: Qi Feng, Mingliang Wang, Baoli Dong, Chunxiang Xu, Jing Zhao,
Hongjuan Zhang
Chemical
Name: 1-(5-(pyren-1-yl)-3-(4-methoxyphenyl)-4,5-dihydropyrazol-1-
yl)ethanone-2-naphthol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.51
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: REVZUP
Authors/Journal
Authors: Kang Han, Yanyan Zhang, Jian Li, Yihua Yu, Xueshun Jia, Chunju
Li
Chemical
Name: 4,9,14,19,24,26,28,30,32,34-
Decabutoxyhexacyclo[21.2.2.2$3,6!.2$8,11!.2$13,16!.2$18,21!]pentatriaconta-
1(25),3,5,8,10,13,15,18,20,23,26,28,30,32,34-pentadecaene 1,1'-butane-1,4-
diylbis(1H-1,2,4-triazole)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.4
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: REWBIE
Authors/Journal
Authors: G.C.Rovnyak, S.D.Kimball, B.Beyer, G.Cucinotta, J.D.Di Marco,
J.Gougoutas, A.Hedberg, M.Malley, J.P.McCarthy, Rongan Zhang, S.Moreland
Chemical
Formula: C18 H22 N2 O2 S2,H1 Cl1
Name: (S)-3,8,9,10,11,16b-Hexahydro-4-methyl-2-(methylthio)-5H,7H-
(7,1)benzoxathiacyclododecino(10,9-d)pyrimidin-5-one hydrochloride
Synonym:
Source:
Melting Point:
Colour:
Extra Information: absolute configuration; calcium agonist activity
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: REWJUA01
Authors/Journal
Chemical
Name: 2,3,6,7-Tetramethyl-3,7-diazatricyclo[4.2.2.2$2,5!]dodeca-
9,11-diene-4,8-dione 1,1,6,6-tetraphenylhexa-2,4-diyne-1,6-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: REXNAL
Authors/Journal
Authors: Lei Wang, Lei Zhao, Yanjing Hu, Wenqiang Wang, Ruixin Chen, Yu
Yang
Chemical
Name: 4,4'-(1,3,4-oxadiazole-2,5-diyl)dipyridine 2,3,5,6-
tetrafluoroterephthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: REXNEP
Authors/Journal
Authors: Lei Wang, Lei Zhao, Yanjing Hu, Wenqiang Wang, Ruixin Chen, Yu
Yang
Chemical
Name: 2,3,5,6-Tetrafluoroterephthalic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.73
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: REYPIU
Authors/Journal
Authors: E.Fischer, J.Larsen, J.B.Christensen, M.Fourmigue, H.G.Madsen,
N.Harrit
Chemical
Name: Tetrathieno(2,3-a:3,2-c:2,3-f:3,2-h)naphthalene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: REZREW
Authors/Journal
Authors: Chun-Fai Ng, Hak-Fun Chow, T.C.W.Mak
Chemical
Formula: C11 H6 I1 N1,0.67(C6 F6)
Name: 2-(iodoethynyl)quinoline hexafluorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.76
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIDJOD
Authors/Journal
Authors: M.Muthuraman, R.Masse, J.-F.Nicoud, G.R.Desiraju
Chemical
Name: 4-Hydroxy-4'-nitrobiphenyl 4-methylpyridine-1-oxide
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIDKUK
Authors/Journal
Chemical
Name: 4-Hydroxy-4'-nitrostilbene 4-methylpyridine-1-oxide
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIDLEV
Authors/Journal
Chemical
Name: 4-Hydroxy-4'-nitrobiphenyl 4-cyanopyridine-1-oxide
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIDPAV
Authors/Journal
Chemical
Name: 4-Hydroxy-4'-nitrostilbene 4-cyanopyridine-1-oxide
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.7
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIDPEZ
Authors/Journal
Chemical
Name: 4-Hydroxy-4'-nitrobiphenyl 4-nitropyridine-1-oxide
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.25
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIDQIE
Authors/Journal
Chemical
Name: 4-Hydroxy-4'-nitrostilbene 4-nitropyridine-1-oxide
Synonym:
Source:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIFQAY
Authors/Journal
Authors: D.A.Clemente, A.Marzotto
Chemical
Formula: C6 H4 S4,C6 N4
Name: Tetrathiafulvalene tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RIFQAY01
Authors/Journal
Authors: D.A.Clemente, A.Marzotto
Chemical
Formula: C6 H4 S4,C6 N4
Name: Tetrathiafulvalene tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour: red-brown
Extra Information:
Experimental
R-Factor (%): 3.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RIJFEY
Authors/Journal
Authors: L.Politanskaya, Zequn Duan, b.Bagryanskaya, I.Eltsov,
E.Tretyakov, Chanjuan Xi
Chemical
Formula: C9 H16 N2,C7 H2 F2 I1 N1 S2
Name: 6,7-difluoro-4-iodo-1,3-benzothiazole-2(3H)-thione
2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
Synonym: 6,7-difluoro-4-iodobenzo[d]thiazole-2(3H)-thione 1,8-
diazabicyclo[5.4.0]undec-7-ene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIJVOV
Authors/Journal
Authors: R.Lyuboradsky, J.Lipkovsky, Yu.A.Simonov, M.S.Fonar',
E.V.Ganin, A.A.Yavolovsky
Chemical
Name: bis(5-Amino-1H-tetrazole) 18-crown-6
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RIKYOZ
Authors/Journal
Authors: H.Bock, A.Rauschenbach, C.Nather, M.Kleine, J.W.Bats
Chemical
Formula: C12 H8 S2,C10 H2 O6
Name: Thianthrene pyromellitic anhydride
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RIKYUF
Authors/Journal
Chemical
Name: 2,3,6,7-Tetramethoxythianthrene 1,2,4,5-tetracyanobenzene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RIKZAM
Authors/Journal
Chemical
Name: 2,3,6,7-Tetramethoxyselenanthrene 1,2,4,5-tetracyanobenzene
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RILJEB
Authors/Journal
Chemical
Name: 4-Aminobenzoic acid 4-nitroaniline
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.11
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RILJIF
Authors/Journal
Chemical
Name: 4-Aminobenzoic acid bis(4-(4-nitrobenzyl)pyridine)
Synonym:
Source:
Colour: pale brown
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RILJOL
Authors/Journal
Chemical
Name: 4-Aminobenzoic acid 4-nitrophenylacetic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.75
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RIMWIW
Authors/Journal
Authors: Chen Chen
Chemical
Name: bis(5-chloro-2-hydroxybenzoic acid) tetramethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.51
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIMWOC
Authors/Journal
Authors: Chen Chen
Chemical
Name: bis(3,5-dichloro-2-hydroxybenzoic acid) tetramethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIMWOC01
Authors/Journal
Authors: li xin
Chemical
Formula: 0.5(C8 H12 N2),C7 H4 Cl2 O3
Name: 3,5-dichloro-2-hydroxybenzoic acid
hemikis(tetramethylpyrazine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RINPOW01
Authors/Journal
Authors: S.dAgostino, F.Spinelli, P.Taddei, B.Ventura, F.Grepioni
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene triphenylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIQVIZ
Authors/Journal
Authors: S.K.Roy, A.Tiwari, M.Saleem, C.K.Jana
Chemical
Name: 4-hydroxy-6-methyl-3-[(4-nitrophenyl)amino]-2H-1-benzopyran-2-
one N,N-diethylethanamine
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 22.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIQXEX
Authors/Journal
Authors: S.Mittapalli, M.K.Chaitanya Mannava, R.Sahoo, Ashwini Nangia
Chemical
Name: 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid
pyridin-2(1H)-one
Synonym: Niflumic acid pyridin-2(1H)-one
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.95
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIRFAC
Authors/Journal
Authors: Z.Dega-Szafran, A.Olejniczak, A.Komasa, A.Katrusiak, M.Szafran
Chemical
Formula: C9 H15 N1 O2,2(C6 H3 Cl2 N1 O3)
Name: (1-azabicyclo[2.2.2]octan-1-ium-1-yl)acetate bis(2,6-dichloro-
4-nitrophenol)
Synonym: 2-(quinuclidinium)acetate bis(2,6-dichloro-4-nitrophenol)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIRGUV
Authors/Journal
Authors: Guang-Cai Qi, Long Tang, Dong-Sheng Li, Feng Fu, Ji-Jiang
Wang, Li Guo
Chemical
Name: Ethylene-4,4'-bis(oxybenzoic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.39
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIVMIV
Authors/Journal
Authors: S.Shalini, S.Shahil Kirupavathy, E.Jerusha
Chemical
Name: 4-bromophenol N,N-dimethylpyridin-4-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: Non-linear; Non- hygroscopic
Experimental
R-Factor (%): 4.92
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIWJIQ
Authors/Journal
Authors: V.Velikova, K.Kossev, O.Angelova
Chemical
Name: 2-Amino-5-nitro-pyridine 3-nitro-2-pyridone
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RIWZIH
Authors/Journal
Authors: P.Metrangolo, F.Meyer, T.Pilati, D.M.Proserpio, G.Resnati
Chemical
Formula: C40 H36 F16 I4 N6,2(C12 H10 N2)
Name: N,N,N',N'-tetrakis(3-(2,3,5,6-Tetrafluoro-4-
iodoanilino)propyl)butan-1,4-diamine bis((E)-1,2-bis(4-pyridyl)ethene)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.18
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIYVEB
Authors/Journal
Authors: B.R.D.Nayagam, S.R.Jebas, J.J.Devadasan, D.Schollmeyer
Chemical
Name: bis(2-(Mesitylmethylsulfanyl)pyridine N-oxide) 18-crown-6
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.89
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIYXUT
Authors/Journal
Authors: Gui-Ge Hou, Li-Li Liu, Jian-Ping Ma, Ru-Qi Huang, Yu-Bin Dong
Chemical
Name: 4-(5-(4-pyridyl)-1,3,4-oxadiazol-2-yl)pyridine N-oxide-
isophthalic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.16
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RIZWEC
Authors/Journal
Authors: I.L.Karle, D.Ranganathan, V.Haridas
Chemical
Name: 1,3-bis((Pyrid-2-ylamino)carbonyl)adamantane glutaric acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RIZWOM
Authors/Journal
Chemical
Name: 1,3-bis((Pyrid-2-ylamino)carbonyl)adamantane sebacic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RIZWUS
Authors/Journal
Chemical
Name: 1,3-bis((Pyrid-2-ylamino)carbonyl)adamantane alpha-
ketoglutaric acid
Synonym: PDB Chemical Component code: AKG
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.96
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RIZXAZ
Authors/Journal
Chemical
Name: 1,3-bis((Pyrid-2-ylamino)carbonyl)adamantane succinic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 17.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ROCPOR
Authors/Journal
Authors: F.Ozturk
Chemical
Name: 4-amino-N-(5-methyl-1,3,4-thiadiazol-2(3H)-ylidene)benzene-1-
sulfonamide 2,2'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROFCAR
Authors/Journal
Authors: Chun-Bo Liu, Jian Wang, Xiu-Ying Li, Guang-Bo Che, Yang Liu
Chemical
Name: Terephthalic acid 10,11,12,13-tetrahydrodipyrido[3,2-a:2',3'-
c]phenazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.84
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROFCAT
Authors/Journal
Authors: V.Nemec, L.Fotovic, T.Vitasovic, D.Cincic
Chemical
Name: 4-(dimethylamino)benzaldehyde 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.08
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROFCEX
Authors/Journal
Chemical
Name: 4-hydroxy-3-methoxybenzaldehyde 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROFCIB
Authors/Journal
Chemical
Name: bis(3,4-dimethoxybenzaldehyde) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.38
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROFCOH
Authors/Journal
Chemical
Name: bis(2-hydroxynaphthalene-1-carbaldehyde) 1,2,4,5-tetrafluoro-
3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 6.03
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROGKOO
Authors/Journal
Authors: L.Izotova, J.Ashurov, S.Talipov, B.Ibragimov, E.Weber
Chemical
Name: 1,1-binaphthyl-2,2'-dicarboxylic acid urea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.39
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROJCEA
Authors/Journal
Authors: K.M.Hutchins, J.C.Sumrak, D.C.Swenson, L.R.MacGillivray
Chemical
Name: bis(1-(4-pyridyl)-2-(3-thienyl)ethylene) hexanedioic acid
Synonym: bis(4-(2-(3-thienyl)vinyl)pyridine) adipic Acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROJRAM
Authors/Journal
Authors: Arshad Khan, R.Usman, S.M.Sayed, Rongrong Li, Hui Chen,
Nongyue He
Chemical
Formula: 2(C19 H13 N1 O1),3(C10 H2 N4)
Name: benzene-1,2,4,5-tetracarbonitrile bis((9H-carbazol-9-yl)
(phenyl)methanone)
Synonym:
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROJSIS
Authors/Journal
Authors: Y.Yamashita, K.Ono, M.Tomura, K.Imaeda
Chemical
Name: 1,1'-Diethyl-1,1'-dihydro-bis(1,2,5)thiadiazolo-(3,4-b:3',4'-
b')-4,4'-bipyridine 7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: dark green
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ROJSIT
Authors/Journal
Authors: A.Karmakar, A.M.Baruah, J.B.Baruah
Chemical
Name: 4-Nitrophthalic acid 2-pyridinamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.23
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROKNAH
Authors/Journal
Chemical
Name: 1,4-Dicarboxymethyl-1,4-dimethylpiperazinium L-tartaric acid
Synonym: 1,4-Dimethylpiperazine di-betaine L-tartaric acid
Source:
Melting Point: 222 deg.C (dec.)
Colour: colorless
Extra Information: for racemate see [BOWKAA]
Experimental
R-Factor (%): 2.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROKQAJ
Authors/Journal
Authors: R.Moreno-Fuquen, R.H.De A.Santos, M.T.d.P.Gambardella
Chemical
Name: 3-Picoline N-oxide p-toluic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ROKQEN
Authors/Journal
Authors: R.Moreno-Fuquen, M.Grajales-Tamayo, M.T.d.P.Gambardella
Chemical
Name: 2-Picoline N-oxide 3-chlorobenzoic acid
Synonym: PDB Chemical Component code: 3BZ
Source:
Melting Point: 335K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.93
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ROKQIR
Authors/Journal
Authors: P.R.Meehan, R.M.Gregson, C.Glidewell, G.Ferguson
Chemical
Name: 1,1,3-tris(2-Methyl-4-hydroxy-5-t-butylphenyl)butane
hexamethylenetetramine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.22
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ROKQUG
Authors/Journal
Authors: Qi Zhou, Zhi-Jiao Zhang, Fan-Fan Wang, Li Han, Cheng-Ben Zhu,
Hai-Pu Li, Ying Yang
Chemical
Name: N-(bis{[2,6-bis(propan-2-yl)phenyl]amino}methylidene)benzamide
N-{[2,6-bis(propan-2-yl)phenyl]carbamoyl}benzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.53
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROMFAC
Authors/Journal
Authors: Hong Qiang, Shu-Jie Tu, Yong-Li Yang
Chemical
Formula: C11 H10 N2 S1,C7 H5 I1 O2
Name: 4-iodobenzoic acid 4-((pyridin-4-ylmethyl)sulfanyl)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROMQOC
Authors/Journal
Authors: Jing Wang, Aisen Li, Shuping Xu, Chongping Song, Yijia Geng,
Ling Ye, Houyu Zhang, Weiqing Xu
Journal: ACS Omega , 4, 10424, 2019
Chemical
Name: 10H-phenothiazine benzene-1,2,4,5-tetracarbonitrile
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.53
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RONBEE
Authors/Journal
Authors: Munendra Pal Singh, J.B.Baruah
Chemical
Formula: C12 H14 N4 O2 S1,C7 H6 O2 S1
Name: 2-sulfanylbenzoic acid 4-amino-N-(4,6-dimethylpyrimidin-2-
yl)benzene-1-sulfonamide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RONCIJ
Authors/Journal
Authors: M.Debnath, S.Sasmal, D.Podder, D.Haldar
Chemical
Formula: C46 H55 N5 O8,2(C6 H4 Cl2)
Name: methyl N-(t-butoxycarbonyl)phenylalanylphenylalanyl-2-
methylalanylphenylalanylphenylalaninate 1,2-dichlorobenzene
Synonym: PEPSEQ A=5 PHE*-PHE-AIB-PHE-PHE*
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROQLEQ
Authors/Journal
Authors: G.Springuel, K.Robeyns, B.Norberg, J.Wouters, T.Leyssens
Chemical
Name: 2-methylsuccinic acid 2-(2-oxopyrrolidin-1-yl)butanamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [YAMQAH]
Experimental
R-Factor (%): 4.11
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROQLIU
Authors/Journal
Chemical
Name: 5-(piperidin-1-ylcarbonyl)pyrrolidin-2-one 2,3-
dihydroxysuccinate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROQLOA
Authors/Journal
Chemical
Name: 2-methylsuccinic acid 1,10a,12a-trimethyl-
1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-
hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.98
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROQLUG
Authors/Journal
Chemical
Name: 2-methylsuccinic acid 1,10a,12a-trimethyl-
1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-
hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROQMAN
Authors/Journal
Chemical
Name: (S)-2-(4-isobutylphenyl)propanoic acid (S)-2-(2-oxopyrrolidin-
1-yl)butanamide
Synonym: (S)-ibuprofen (S)-2-(2-oxopyrrolidin-1-yl)butanamide
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 8.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROQYIH
Authors/Journal
Authors: S.Cherukuvada, T.N.G.Row
Chemical
Name: Isonicotinamide succinamic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.18
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RORMAO
Authors/Journal
Authors: S.SeethaLekshmi, S.Varughese, L.Giri, V.R.Pedireddi
Chemical
Formula: C6 H6 B1 I1 O2,1.5(C12 H10 N2)
Name: (4-Iodophenyl)boronic acid sesquikis(trans-1,2-bis(4-
pyridyl)ethene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.49
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RORMES
Authors/Journal
Chemical
Formula: C6 H6 B1 I1 O2,0.5(C12 H8 N2)
Name: (4-Iodophenyl)boronic acid hemikis(4,7-phenanthroline)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RORNOD
Authors/Journal
Chemical
Formula: C6 H6 B1 Cl1 O2,C12 H8 N2
Name: (4-Chlorophenyl)boronic acid phenazine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.05
Temperature: 301
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RORPEV
Authors/Journal
Chemical
Formula: C6 H6 B1 I1 O2,C12 H8 N2
Name: (4-Iodophenyl)boronic acid phenazine
Synonym:
Source:
Melting Point:
Colour: pale green
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RORPOF
Authors/Journal
Chemical
Name: (4-Chlorophenyl)boronic acid acridine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 6.65
Temperature: 301
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RORPUL
Authors/Journal
Chemical
Formula: C6 H6 B1 Br1 O2,C13 H9 N1
Name: (4-Bromophenyl)boronic acid acridine
Synonym:
Source:
Melting Point:
Colour: pale green
Extra Information:
Experimental
R-Factor (%): 4.81
Temperature: 301
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RORQAS
Authors/Journal
Chemical
Formula: C6 H6 B1 I1 O2,C13 H9 N1
Name: (4-Iodophenyl)boronic acid acridine
Synonym:
Source:
Melting Point:
Colour: pale green
Extra Information:
Experimental
R-Factor (%): 9.2
Temperature: 301
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RORWAY
Authors/Journal
Authors: J.-L.Syssa-Magale, K.Boubekeur, J.Leroy, L.-M.Chamoreau,
C.Fave, B.Schollhorn
Chemical
Formula: C44 H10 F16 I4 N4,C6 H12 N4
Name: 1,3,5,7-tetraazatricyclo[3.3.1.1$3,7!]decane 5,10,15,20-
tetrakis(2,3,5,6-tetrafluoro-4-iodophenyl)porphyrin
Synonym: Hexamethylenetetramine 5,10,15,20-tetrakis(perfluoro-4'-
iodophenyl)porphyrin
Source:
Melting Point:
Colour: blue violet
Extra Information:
Experimental
R-Factor (%): 5.65
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes: We calculate 31.89% void space in the structure
REFCODE: ROSMIX
Authors/Journal
Authors: Chaoyang Zhang, Zongwei Yang, Xiaoqing Zhou, Chenghua Zhang,
Yu Ma, Jinjiang Xu, Qi Zhang, Fude Nie, Hongzhen Li
Chemical
Name: 1,4-Naphthoquinone 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-
hexaazatetracyclo[5.5.0.0$3,11!.0$5,9!]dodecane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROSMOD
Authors/Journal
Authors: Chaoyang Zhang, Zongwei Yang, Xiaoqing Zhou, Chenghua Zhang,
Yu Ma, Jinjiang Xu, Qi Zhang, Fude Nie, Hongzhen Li
Chemical
Name: 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-
hexaazatetracyclo[5.5.0.0$3,11!.0$5,9!]dodecane b-benzoquinone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.03
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROSTUQ
Authors/Journal
Authors: Swapan Dey, D.Sain, A.Kumar, C.Kumari
Chemical
Name: bis(N-ethyl-N'-(1,3-thiazol-2-yl)isophthalamide) succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROTHEP
Authors/Journal
Authors: K.M.Hutchins, S.Dutta, B.P.Loren, L.R.MacGillivray
Chemical
Formula: 2(C13 H11 N1 O2),C12 H10 N2
Name: bis(2-((4-Hydroxyphenylimino)methyl)phenol) 4,4'-ethene-1,2-
diyldipyridine
Synonym: bis(N-Salicylidene-4-hydroxyaniline) 1,2-bis(4-pyridyl)ethene
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROTHIT
Authors/Journal
Chemical
Formula: C13 H11 N1 O2,0.5(C12 H8 N2)
Name: 2-((4-Hydroxyphenylimino)methyl)phenol hemikis(4,4'-ethyne-
1,2-diyldipyridine)
Synonym: N-Salicylidene-4-hydroxyaniline hemikis(1,2-bis(4-
pyridyl)ethyne)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.15
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROTREZ
Authors/Journal
Chemical
Name: 2-((4-hydroxyphenyl)carbonoimidoyl)phenol 4,4'-bipyridine
Synonym: 2-((4-hydroxyphenylimino)methyl)phenol 4,4'-bipyridine
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.62
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ROVSAY
Authors/Journal
Authors: Manjeet Singh, R.N.Rai, U.S.Rai
Chemical
Name: 3,5-dinitrobenzoic acid 2-hydroxybenzamide
Synonym:
Source:
Extra Information:
Experimental
R-Factor (%): 6.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUGYID
Authors/Journal
Authors: K.Ardila-Fierro, V.Andre, Davin Tan, M.T.Duarte, R.Lancaster,
P.Karamertzanis, T.Friscic
Chemical
Name: beta-Estradiol phenanthrene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUHDOP
Authors/Journal
Authors: Hongyan He, Linglei Jiang, Qi Zhang, Ying Huang, Jian-Rong
Wang, Xuefeng Mei
Chemical
Formula: 2(C15 H10 O2),C12 H12 N2 O2 S1
Name: bis(2-Phenyl-4H-chromen-4-one) 4,4'-sulfonyldianiline
Synonym: bis(Flavone) dapsone
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUJCII
Authors/Journal
Authors: L.V.Meervelt, C.Bruyneel, H.Morisse, T.Zeegers-Huyskens
Chemical
Name: N-t-Butyloxycarbonyl-L-phenylalanine pyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.45
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RUJCII01
Authors/Journal
Authors: L.V.Meervelt, C.Bruyneel, H.Morisse, T.Zeegers-Huyskens
Chemical
Formula: C14 H17 D2 N1 O4,C5 H5 N1
Name: Dideutero-N-t-butoxycarbonyl-L-phenylalanine pyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RUMFOV
Authors/Journal
Authors: A.I.Polyakov, V.A.Eryomina, L.A.Medvedeva, N.I.Tihonova,
A.V.Listratova, L.G.Voskressensky
Chemical
Name: N-benzylidene-6-methyl-2-phenylimidazo[1,2-a]pyridin-3-amine
hydroxy(phenyl)acetonitrile
Synonym: (E)-3-(benzylideneamino)-6-methyl-2-phenylimidazo[1,2-
a]pyridin-1-ium cyano(phenyl)methanol; PDB Chemical Component code: MNN; PDB
Chemical Component code: MXN
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.88
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUNROK
Authors/Journal
Authors: Yu Zhang, Jian-Ge Wang, Weizhou Wang
Chemical
Name: 1,2,3,5-tetrafluoro-4,6-diiodobenzene hexamethylbenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.83
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUNSUR
Authors/Journal
Authors: S.Modani, A.Gunnam, B.Yadav, A.K.Nangia, N.R.Shastri
Chemical
Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-
carboxylic acid 4-hydroxy-2-methyl-1,1-dioxo-N-(pyridin-2-yl)-1,2-dihydro-1,2-
benzothiazine-3-carboxamide
Synonym: febuxostat piroxicam
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUQKUM
Authors/Journal
Authors: Cui-Min Yan, Ya-an Zhang, Chen Chen, Xiao-Qing Zhao,
A.M.S.Hossain, Bai-Wang Sun
Chemical
Name: 2,3,5-trichloro-6-hydroxybenzoic acid 2,3-dimethylpyrazine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUQLAT
Authors/Journal
Chemical
Name: bis(2,3,5-trichloro-6-hydroxybenzoic acid) 2,5-
dimethylpyrazine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 14.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUQLIB
Authors/Journal
Chemical
Name: 2-hydroxy-3,5-dinitrobenzoic acid 2,6-dimethylpyrazine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RURROM
Authors/Journal
Chemical
Name: 2,5-Difluoro-3,6-dihydroxy-1,4-benzoquinone phenazine
Synonym:
Source:
Melting Point:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 3.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RURROM01
Authors/Journal
Chemical
Name: 2,5-Difluoro-3,6-dihydroxy-1,4-benzoquinone phenazine
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RURRUS
Authors/Journal
Chemical
Name: 2,5-Dihydroxy-3,6-di-iodo-1,4-benzoquinone phenazine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 2.03
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUTGOE
Authors/Journal
Authors: F.Fischer, M.Joester, K.Rademann, Franziska Emmerling
Chemical
Name: 2-aminobenzoic acid bis(5H-dibenzo[b,f]azepine-5-carboxamide)
Synonym: anthranilic acid bis(carbamazepine)
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUTGUK
Authors/Journal
Chemical
Name: 2-aminobenzoic acid 2-hydroxybenzoic acid
Synonym: anthranilic acid salicylic acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUVLIG
Authors/Journal
Authors: N.Chakkarapani, S.Murugan, A.R.Ibrahim, S.J.Kavitha,
M.Hemamalini, V.Rajakannan
Chemical
Name: butanedioic acid bis(6-chloropyrimidine-2,4-diamine)
Synonym: succinic acid bis(2,6-diamino-4-chloropyrimidine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.34
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUWJOI
Authors/Journal
Authors: P.I.Coupar, G.Ferguson, C.Glidewell, P.R.Meehan
Chemical
Name: Hexamethylenetetramine 1,1,1-tris(4-hydroxyphenyl)ethane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.01
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RUWMIF
Authors/Journal
Authors: H.Hosomi, S.Ohba, Y.Ito, H.Nakabayashi
Journal: Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. , 53, 9700031,
1997
Chemical
Name: 1,2,4,5-Tetracyanobenzene bis(2-methylbenzyl cyanide)
Synonym: bis(2-Methylbenzylcyanide) 1,2,4,5-tetracyanobenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: RUWQAE01
Authors/Journal
Authors: A.Hasija, D.Chopra
Chemical
Formula: C18 H15 P1 S1,C6 F4 I2
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene
triphenyl(sulfanylidene)-lambda$5!-phosphane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.71
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUXDAP
Authors/Journal
Authors: Z.Dega-Szafran, G.Dutkiewicz, Z.Kosturkiewicz, M.Przedwojska,
M.Szafran
Chemical
Name: N-Methylmorpholine betaine 4-hydroxybenzoic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.32
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUXPUV
Authors/Journal
Authors: B.Olenik, T.Smolka, R.Boese, R.Sustmann
Chemical
Name: 1,4-Diazanaphthalene oxalic acid
Synonym: Quinoxaline oxalic acid
Source:
Colour: blue
Extra Information:
Experimental
R-Factor (%): 7.69
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUXQEG
Authors/Journal
Authors: B.Olenik, T.Smolka, R.Boese, R.Sustmann
Chemical
Name: 1,4-Diazanaphthalene fumaric acid
Synonym: Quinoxaline fumaric acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUXQUW
Authors/Journal
Authors: B.Olenik, R.Boese, R.Sustmann
Chemical
Name: bis(2,4-Diazanaphthalene) meso-1,2-diphenyl-1,2-ethanediol
Synonym: bis(Quinazoline) meso-1,2-diphenyl-1,2-ethanediol
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUXRAD
Authors/Journal
Authors: B.Olenik, R.Boese, R.Sustmann
Chemical
Name: bis(2-Azanaphthalene) meso-1,2-diphenyl-1,2-ethanediol
Synonym: bis(Isoquinoline) meso-1,2-diphenyl-1,2-ethanediol
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUYGIC01
Authors/Journal
Chemical
Name: 4-Hydroxybenzoic acid N-(5-sulfamoyl-1,3,4-thiadiazol-2-
yl)acetamide
Synonym: Acetazolamide 4-hydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUYHEZ01
Authors/Journal
Chemical
Name: 4-Hydroxybenzoic acid pyridine-3-carboxamide
Synonym: p-Hydroxybenzoic acid nicotinamide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUYYAN
Authors/Journal
Chemical
Name: bis(1-(hydroxycarbonoimidoyl)-2-naphthol) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.81
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUYYER
Authors/Journal
Chemical
Name: 1-(hydroxycarbonoimidoyl)-2-naphthol 1,3,5,7-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.84
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RUYYIV
Authors/Journal
Chemical
Name: 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 1-
(hydroxycarbonoimidoyl)-2-naphthol
Synonym: caffeine 1-(hydroxycarbonoimidoyl)-2-naphthol
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.73
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SABBAB
Authors/Journal
Authors: P.Nandy, A.Nayak, S.N.Biswas, V.R.Pedireddi
Chemical
Formula: C10 H11 N5,0.5(C6 H10 O4)
Name: 2,4-Diamino-6-(4-methylphenyl)-1,3,5-triazine adipic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.14
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SABCEF
Authors/Journal
Authors: C.Phurat, T.Teerawatananond, N.Muangsin
Chemical
Name: 2-Hydroxybenzaldehyde 4-(dimethylamino)pyridine
Synonym: 2-Hydroxybenzaldehyde N,N-dimethylpyridin-4-amine;
Salicylaldehyde 4-(dimethylamino)pyridine
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.89
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SABVUP
Authors/Journal
Authors: M.Sangeetha, R.Mathammal
Chemical
Name: N-benzylpyridin-2-amine oxalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes: The structure contains very short H...H contacts between
oxalic acid molecules
REFCODE: SACCAF
Authors/Journal
Authors: J.M.Leger, S.Alberola, A.Carpy
1455, 1977
Chemical
Name: N-Acetylsulfanilamide-caffeine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SACSOE
Authors/Journal
Authors: P.Toffoli, N.Rodier, R.Ceolin, F.Lepage, J.Astoin
Chemical
Name: L-Citrulline L-malic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SACWAY
Authors/Journal
Authors: V.Verma, S.Bordignon, M.R.Chierotti, M.Lestari, K.Lyons,
L.Padrela, K.M.Ryan, M.Lusi
Chemical
Formula: 0.63(C21 H28 O5),0.37(C21 H30 O5)
Name: Cortisone hydrocortisone
Synonym: 17,21-dihydroxypregn-4-ene-3,11,20-trione 11,17,21-
trihydroxypregn-4-ene-3,20-dione
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.47
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SACWAY01
Authors/Journal
Chemical
Formula: 0.37(C21 H28 O5),0.63(C21 H30 O5)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.15
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SACWIG
Authors/Journal
Chemical
Formula: 0.26(C21 H28 O5),0.74(C21 H30 O5)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.38
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SADGIQ
Authors/Journal
Authors: T.Balic, B.Markovic, J.Jazwinski, D.Matkovic-Calogovic
Journal: Microporous and Mesoporous Materials , 226, 53, 2016
Chemical
Formula: C50 H48 N4 O4,0.32(I2)
Name: 10,16,37,43-tetraoxa-2,24,29,51-
tetraazaheptacyclo[50.2.2.2$25,28!.0$4,9!.0$17,22!.0$31,36!.0$44,49!]octapentaconta
-1(54),2,4,6,8,17,19,21,23,25,27,29,31,33,35,44,46,48,50,52,55,57-docosaene iodine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 8.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SADTIC03
Authors/Journal
Authors: M.Donoshita, M.Hayashi, R.Ikeda, Y.Yoshida, S.Morikawa,
K.Sugimoto, H.Kitagawa
Chemical
Formula: C6 H2 Cl2 O4,2(C4 H7 N1 O1)
pyrrolidin-2-one
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.91
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SADTIC05
Authors/Journal
Authors: M.Donoshita, M.Hayashi, R.Ikeda, Y.Yoshida, S.Morikawa,
K.Sugimoto, H.Kitagawa
Chemical
pyrrolidin-2-one
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAFNOE
Authors/Journal
Authors: Yan-Ke Jiang, Gui-Ge Hou
Chemical
Name: Benzene-1,3,5-tricarboxylic acid 5-(pyridin-4-yl)pyrimidine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.53
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAFSID
Authors/Journal
Authors: S.Rosca, M.Olaru, C.I.Rat
Chemical
Formula: C18 H15 O1 P1,C9 H13 B1 O2
Name: (2,4,6-Trimethylphenyl)boronic acid triphenylphosphine oxide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.3
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAGMUM
Authors/Journal
Authors: R.Bhowal, S.Biswas, A.Thumbarathil, A.L.Koner, D.Chopra
Chemical
Formula: C12 H8 N2,0.5(C6 F4 O2)
Name: benzo[c]cinnoline hemikis(2,3,5,6-tetrafluorocyclohexa-2,5-
diene-1,4-dione)
Synonym: Benzo[c]cinnoline hemikis(tetrafluoro-1,4-benzoquinone)
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.52
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAGNIB01
Authors/Journal
Authors: Hongnan Wu, Yajing Sun, Lingjie Sun, Liwei Wang, Xiaotao Zhang
Journal: Chin.Chem.Lett. , , , 2021
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile phenazine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAGQEW
Authors/Journal
Authors: M.R.Caira, T.G.Dekker, W.Liebenberg
Chemical
Name: Mebendazole propionic acid
Synonym: (5-Benzoyl-1H-benzimidazol-2-yl)carbamic acid methyl ester
propionic acid
Source:
Melting Point:
Colour: yellow
Extra Information: anthelmintic drug
Experimental
R-Factor (%): 6.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SAHHEQ
Authors/Journal
Authors: Yan Yang, Ziping Huang, Haitang Lv, Aixia Han
Chemical
Name: N,N'-Dihydroxybutane-2,3-diimine 4,4'-bipyridine
Synonym: 4,4'-Bipyridine dimethylglyoxime
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.26
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAJPAY
Authors/Journal
Authors: Yijue Xu, V.Kumar, M.J.Z.Bradshaw, D.L.Bryce
Chemical
Formula: C6 H7 N1 O2,C4 N4 Se1
Name: 1,2,5-selenadiazole-3,4-dicarbonitrile 4-methoxypyridine N-
oxide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.17
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAJPEC01
Authors/Journal
Authors: Yijue Xu, V.Kumar, M.J.Z.Bradshaw, D.L.Bryce
Chemical
Name: 1,2,5-selenadiazole-3,4-dicarbonitrile 2,6-dimethylpyridine N-
oxide
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 2.78
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAKLAR
Authors/Journal
Authors: Y.Aso, K.Yui, T.Miyoshi, T.Otsubo, F.Ogura, J.Tanaka
Chemical
Name: 5,6-Dihydroacenaphtho(5,6-cd)-1,2-dithiole
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SALCIR
Authors/Journal
Authors: H.Schmidbaur, W.Bublak, B.Huber, G.Muller
Chemical
Formula: C18 H30,2(As1 Br3)
Name: Hexaethylbenzene bis(tribromo-arsenic)
Synonym:
Source:
Colour: colorless
Extra Information: Slightly air- and moisture-sensitive
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SALCYS
Authors/Journal
Authors: C.Tamura, M.Yoshikawa, S.Sato, T.Hata
Chemical
Name: Salicylic acid-cytidine complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: O10 seems to be in error
REFCODE: SAMTEF
Authors/Journal
Authors: P.Berges, J.Kudnig, G.Klar, E.S.Martinez, R.D.Calleja
Chemical
Formula: 2(C16 H16 O4 S2),C6 N4
Name: bis(2,3,7,8-Tetramethoxythianthrene) tetracyanoethene
Synonym:
Source:
Colour: deep blue
Extra Information:
Experimental
R-Factor (%): 3.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The space group is P21/n not P21/c
REFCODE: SAMTIJ
Authors/Journal
Chemical
Formula: 2(C16 H16 O4 S1 Se1),C6 N4
Name: bis(2,3,7,8-Tetramethoxy-5-selenathianthrene) tetracyanoethene
Synonym:
Source:
Colour: deep blue
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
REFCODE: SAMTOP
Authors/Journal
Chemical
Formula: 2(C16 H16 O4 Se2),C6 N4
Name: bis(2,3,7,8-Tetramethoxyselenanthrene) tetracyanoethene
Synonym:
Source:
Colour: deep blue
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
REFCODE: SANAPY
Authors/Journal
Authors: S.Alberola, F.Sabon, J.Jaud, J.Galy
3337, 1977
Chemical
Name: Sulfanilamide antipyrine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Z-COORD OF C18 SHOULD BE .2793 NOT .2973 Z- COORD OF C4 AND C5
SHOULD BE POSITIVE Y-COORD OF N7 SHOULD BE NEGATIVE
REFCODE: SANBIV
Authors/Journal
Authors: M.Mohana, P.T.Muthiah, C.D.McMillen
Chemical
Name: 3-nitrobenzoic acid 5-fluoropyrimidine-2,4(1H,3H)-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SANLEB
Authors/Journal
Authors: B.Chatterjee, C.Gunanathan
Chemical
Formula: 2(C54 H45 B1 O3 Si3),C36 H30 O1 Si2
Name: bis(tris(triphenylsilyl) borate) hexaphenyldisiloxane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAPFIB
Authors/Journal
Authors: Manjeet Singh, U.S.Rai
Chemical
Name: 2-((4-(dimethylamino)benzylidene)amino)benzoic acid 2-amino-4-
nitrophenol
Synonym:
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAPFOH
Authors/Journal
Authors: Manjeet Singh, U.S.Rai
Chemical
Name: urea 2-amino-4-nitrophenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.97
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAPQOP
Authors/Journal
Authors: G.Smith, D.E.Lynch, C.H.L.Kennard, K.A.Byriel
Chemical
Name: 5-Nitrosalicylic acid triphenylphosphine oxide
Synonym:
Source:
Melting Point:
Colour: pale brown
Extra Information:
Experimental
R-Factor (%): 4.53
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SAPQUV
Authors/Journal
Authors: G.Smith, D.E.Lynch, C.H.L.Kennard, K.A.Byriel
Chemical
Formula: C7 H3 Cl1 N2 O6,C18 H15 O1 P1
Name: 2-Chloro-3,5-dinitrobenzoic acid triphenylphosphine oxide
Synonym:
Source:
Melting Point:
Colour: pale brown
Extra Information:
Experimental
R-Factor (%): 4.32
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SAPRAC
Authors/Journal
Authors: D.G.Hamilton, D.E.Lynch, K.A.Byriel, C.H.L.Kennard,
J.K.M.Sanders
Chemical
Name: N,N'-Diethylpyromellitic di-imide 2,6-dimethoxynaphthalene
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.23
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SARDAQ
Authors/Journal
Authors: J.H.Loehlin, K.J.Franz, L.Gist, R.H.Moore
Chemical
Name: 1,4-Diaminobenzene bis(phenol)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SARDIY
Authors/Journal
Chemical
Name: 1,4-Diaminobenzene bis(4-phenylphenol)
Synonym: p-Phenylenediamine bis(p-phenylphenol)
Source:
Colour: pale pink
Extra Information:
Experimental
R-Factor (%): 4.77
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SARDOE
Authors/Journal
Chemical
Name: 1,4-Diaminobenzene 2,6-dihydroxynaphthalene
Synonym: p-Phenylenediamine 2,6-dihydroxynaphthalene
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.95
Temperature: 295
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SARJUQ
Authors/Journal
Chemical
Name: 1,4-Diaminobenzene 1,6-dihydroxyhexane
Synonym: p-Phenylenediamine hexane-1,6-diol; PDB Chemical Component
code: HEZ
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SARKII01
Authors/Journal
Authors: A.Sowmya, G.N., A.Kumar
Chemical
Name: 4-fluorobenzoic acid isonicotinonitrile
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.03
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SARLEC
Authors/Journal
Chemical
Name: 1,4-Diaminobenzene bis(4-chloro-1-hydroxybenzene)
Synonym: 1,4-Phenylenediamine bis(p-chlorophenol)
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SAXHIK
Authors/Journal
Authors: E.Leksic, G.Pavlovic, E.Mestrovic
Chemical
Name: 6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine 1H-
isoindole-1,3(2H)-dione
Synonym: (6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine)
phthalimide
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.06
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAXHIK01
Authors/Journal
Authors: Wen jie Kuang, Shao chang Ji, Shen min Xu, Ping Lan, An ping
Liao, Ju ying Zhou, Jin yan Zhang
Chemical
Name: 1H-isoindole-1,3(2H)-dione 6-(2,3-dichlorophenyl)-1,2,4-
triazine-3,5-diamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAXPAK
Authors/Journal
Authors: P.Sanphui, G.Bolla, A.Nangia
Chemical
Name: 2-((2,6-Dichloro-3-methylphenyl)amino)benzoic acid
isonicotinamide
Synonym: Meclofenamic acid isonicotinamide; PDB Chemical Component
code: JMS
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.67
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAXPEO
Authors/Journal
Authors: P.Sanphui, G.Bolla, A.Nangia
Chemical
Name: 2-((2,6-Dichloro-3-methylphenyl)amino)benzoic acid
Synonym: Meclofenamic acid hemikis(4,4'-bipyridine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.92
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAYNEM
Authors/Journal
Authors: M.Kaftory, M.Botoshansky, Y.Sheinin
Chemical
Formula: C5 H6 Cl1 N3 O1,C2 H3 Cl1 O2
Name: 3-(Chloroacetamido)pyrazole chloroacetic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAYNIQ
Authors/Journal
Authors: S.M.Curtis, Nam Le, F.W.Fowler, J.W.Lauher
Chemical
Name: N,N'-Oxalyldiglycine 1,4-bis(3-pyridyl)buta-1,3-diyne
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAYNOW
Authors/Journal
Chemical
Name: N,N'-Oxalyldiglycine 1,4-bis(4-pyridyl)buta-1,3-diyne
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.35
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAYNOY
Authors/Journal
Authors: Yufei Wang, Hongxing Shang, Bao Li, Houyu Zhang, Shimei Jiang
Chemical
Formula: 2(C15 H11 F4 I1 N2),C10 H8 N2
Name: bis(N,N-dimethyl-4-{[(2,3,5,6-tetrafluoro-4-
iodophenyl)imino]methyl}aniline) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.85
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAYPAK
Authors/Journal
Chemical
Name: Oxalamide-N,N'-bis(3-propionic acid) 1,4-bis(4-pyridyl)buta-
1,3-diyne
Synonym:
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAYPEO
Authors/Journal
Chemical
Name: Oxalamide-N,N'-bis(5-pentanoic acid) 1,4-bis(3-pyridyl)buta-
1,3-diyne
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.11
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAYPOY
Authors/Journal
Chemical
Name: Oxalamide-N,N'-bis(5-pentanoic acid) 1,4-bis(4-pyridyl)buta-
1,3-diyne
Synonym:
Source:
Colour: blue
Extra Information:
Experimental
R-Factor (%): 6.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAYPUE
Authors/Journal
Chemical
Name: Oxalamide-N,N'-bis(6-hexanoic acid) 1,4-bis(3-pyridyl)buta-
1,3-diyne
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAYQAL
Authors/Journal
Chemical
Name: Oxalamide-N,N'-bis(6-hexanoic acid) 1,4-bis(4-pyridyl)buta-
1,3-diyne
Synonym:
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 6.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SAZKEK
Authors/Journal
Authors: Yong-Tao Wang, Gui-Mei Tang, Da-Wei Qin, Hong-Dong Duan
Chemical
Name: 2,5-Di-4-pyridyl-1,3,4-oxadiazole hydroquinone
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.36
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEBKOC
Authors/Journal
Authors: Lingfeng Dong, Shouwen Jin, Yining Wang, Xinxin Xie, Bin Liu,
Daqi Wang
Chemical
Name: 3,5-dinitrobenzoic acid 5,7-dimethyl-1,8-naphthyridin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECGEN
Authors/Journal
Chemical
Formula: C18 H15 O1 P1,H3 B1 O3
Name: Triphenylphosphine oxide boric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECXEG
Authors/Journal
Chemical
Name: 1-iodopyrrolidine-2,5-dione 4-methoxypyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECXOQ
Authors/Journal
Chemical
Name: pyridine-4-carbonitrile 1-iodopyrrolidine-2,5-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.13
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECXUW
Authors/Journal
Chemical
Name: methyl pyridine-4-carboxylate 1-iodopyrrolidine-2,5-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.65
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECYAD
Authors/Journal
Chemical
Name: 1-iodopyrrolidine-2,5-dione phenyl(pyridin-4-yl)methanone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECYEH
Authors/Journal
Chemical
Formula: C4 H4 Br1 N1 O2,C5 H5 N1
Name: 1-bromopyrrolidine-2,5-dione pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.17
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECYIL
Authors/Journal
Chemical
Name: 1-bromopyrrolidine-2,5-dione 4-methylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 295
Density (CCDC): 1.6
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECYOR
Authors/Journal
Chemical
Name: 1-bromopyrrolidine-2,5-dione 4-methoxypyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECYUX
Authors/Journal
Chemical
Name: 1-bromopyrrolidine-2,5-dione N,N-dimethylpyridin-4-amine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.34
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECZAE
Authors/Journal
Chemical
Name: pyridine-4-carbonitrile 1-bromopyrrolidine-2,5-dione
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECZEI
Authors/Journal
Chemical
Name: methyl pyridine-4-carboxylate 1-bromopyrrolidine-2,5-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.47
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECZIM
Authors/Journal
Chemical
Name: 1-bromopyrrolidine-2,5-dione phenyl(pyridin-4-yl)methanone
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.57
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECZOS
Authors/Journal
Chemical
Name: pyrrolidine-2,5-dione 4-methylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.89
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SECZUY
Authors/Journal
Chemical
Name: pyrrolidine-2,5-dione N,N-dimethylpyridin-4-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.48
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEDFIT
Authors/Journal
Authors: A.Carletta, F.Spinelli, S.d'Agostino, B.Ventura,
M.R.Chierotti, R.Gobetto, J.Wouters, F.Grepioni
Chemical
Formula: C13 H12 N2 O2,0.5(C6 F4 I2)
Name: 2-methoxy-6-((pyridin-3-ylimino)methyl)phenol hemikis(1,2,4,5-
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information: thermochromic
Experimental
R-Factor (%): 4.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEDFUF
Authors/Journal
Chemical
Formula: C14 H12 Br1 N1 O2,0.5(C6 F4 I2)
Name: 2-(((4-bromophenyl)imino)methyl)-6-methoxyphenol
hemikis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information: thermochromic and photochromic
Experimental
R-Factor (%): 4.11
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEDGOA
Authors/Journal
Chemical
Formula: C14 H12 I1 N1 O2,0.5(C6 F4 I2)
Name: 2-(((4-iodophenyl)imino)methyl)-6-methoxyphenol
hemikis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information: thermochromic and photochromic
Experimental
R-Factor (%): 3.74
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEDJUI
Authors/Journal
Authors: S.Muralidharan, P.Nagapandiselvi, T.Srinivasan,
R.Gopalakrishnan, D.Velmurugan
Chemical
Name: 3-Methyl-4-nitrophenol 4-(dimethylamino)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEDMEV
Authors/Journal
Authors: Wei Yang, Qi-Ming Qiu, Qiong-Hua Jin, Cun-Lin Zhang
Chemical
Name: 3,3'-disulfanediylbis(1H-1,2,4-triazole-5-amine) 4,4'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEDNIY
Authors/Journal
Authors: B.Mernari, M.El Azhar, H.El Attari, M.Lagrenee, M.Pierrot
Chemical
Name: Tetracyanoquinodimethane 4-amino-3,5-bis(2-pyridyl)-1,2,4-
triazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SEFWUV
Authors/Journal
Authors: D.R.Bond, L.R.Nassimbeni, F.Toda
Chemical
Name: trans-9,10-Dihydroxy-9,10-diphenyl-9,10-dihydroanthracene
bis(4-methylcyclohexanone)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Space group given as P22/c: we find P21/c
REFCODE: SEFXAC
Authors/Journal
Authors: D.R.Bond, L.R.Nassimbeni, F.Toda
Chemical
Name: trans-9,10-Dihydroxy-9,10-diphenyl-9,10-dihydroanthracene
bis(2-methylcyclohexanone)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SEGFEP
Authors/Journal
Authors: E.G.Popova, L.A.Chetkina, A.N.Sobolev, V.K.Bel'skii,
A.M.Andrievskii, A.N.Poplavskii, K.M.Dyumaev
Chemical
Name: 1,4-Dioxane 2',4,4',6-tetranitro-2-carboxybiphenyl
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SEGHUI
Authors/Journal
Chemical
Name: (1,4-dimethylpiperazin-1-ium-1-yl)acetate 4-hydroxybenzoic
acid
Synonym: N,N'-piperazine monobetaine 4-hydroxybenzoic acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SELFIY
Authors/Journal
Authors: E.A.Babaian, M.Huff, F.A.Tibbals, D.C.Hrncir
Chemical
Formula: 2(C18 H16 O1 Si1),C8 H16 O4
Name: bis(Triphenylsilanol) 12-crown-4
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SEMPEI
Authors/Journal
Authors: N.Castagnetti, A.Girlando, M.Masino, C.Rizzoli, C.Rovira
Chemical
[1]benzothieno[3,2-b][1]benzothiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.0
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEMPIM
Authors/Journal
Chemical
diylidene)dipropanedinitrile [1]benzothieno[3,2-b][1]benzothiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.57
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEMPIM01
Authors/Journal
Authors: R.Sato, M.Dogishi, T.Higashino, T.Kadoya, T.Kawamoto, T.Mori
Chemical
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.34
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEMPOS
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.48
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEMPOS01
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.05
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SENJOK
Authors/Journal
Authors: J.C.Barnes, J.D.Paton, C.S.Blyth
Chemical
Name: 1,4-Dioxane hydroquinone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: Air-sensitive
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SENKIG
Authors/Journal
Authors: M.Arslan, E.Asker, R.B.Krafcik, J.Masnovi, R.J.Baker
Chemical
Formula: C27 H22 N2,0.5(C6 Cl4 O2)
Name: bis(1,3-bis(9H-carbazol-9-yl)propane) tetrachloro-p-
benzoquinone
Synonym:
Source:
Melting Point:
Colour: dark blue
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEOTCR
Authors/Journal
Authors: K.Bechgaard, T.J.Kistenmacher, A.N.Bloch, D.O.Cowan
417, 1977
Chemical
Formula: C10 H12 Se4,C12 H4 N4
Name: 4,4',5,5'-Tetramethyl-cdelta$2,2'!-bis-1,3-diselenolium
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 10.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SEOTCR01
Authors/Journal
Authors: T.J.Kistenmacher, T.J.Emge, A.N.Bloch, D.O.Cowan
1193, 1982
Chemical
Name: 4,4',5,5'-Tetramethyl-cdelta(2,2')-bis-1,3-diselenole 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SEPGAY
Authors/Journal
Chemical
Formula: C14 H8 Se2,C12 H2 F2 N4
diylidene)dipropanedinitrile [1]benzoselenopheno[3,2-b][1]benzoselenophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.55
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEPQUZ
Authors/Journal
Authors: T.L.Nguyen, A.Scott, B.Dinkelmeyer, F.W.Fowler, J.W.Lauher
Chemical
Name: N,N'-bis(4-Hydroxyphenylethyl)oxalamide 1,2-bis(4-
pyridyl)ethene
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SEPREK
Authors/Journal
Chemical
Name: N,N'-bis(2-Hydroxyethyl)oxalamide N,N'-bis(pyridin-4-
ylmethyl)oxalamide
Synonym:
Source:
Colour: colorless
Extra Information: one component sublimes at 200-205 deg.C
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SEPSIP
Authors/Journal
Chemical
Name: N,N'-bis(Carboxymethyl)oxalamide N,N'-bis(pyridin-4-
ylmethyl)oxalamide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Published cell a=4.315 in error; we calculate a=4.375
REFCODE: SEPSIP01
Authors/Journal
Chemical
Name: N,N'-Diglycineoxamide N,N'-bis(4-pyridylmethyl)oxamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SERASC10
Authors/Journal
Authors: V.Sudhakar, T.N.Bhat, M.Vijayan
125, 1980
Chemical
Name: L-Serine L-ascorbic acid
Synonym: L-serine vitamin C
Source:
Melting Point:
Colour:
Extra Information: Vitamin C is a cofactor in enzymatic reactions
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SERMOR
Authors/Journal
Authors: M.C.Etter, D.A.Adsmond
Chemical
Name: 2-Aminopyrimidine succinic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SERMOR10
Authors/Journal
Authors: M.C.Etter, D.A.Adsmond, D.Britton
Chemical
Name: 2-Aminopyrimidine succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SERQAH
Authors/Journal
Authors: G.W.Coates, A.R.Dunn, L.M.Henling, J.W.Ziller, E.B.Lobkovsky,
R.H.Grubbs
Chemical
Name: trans-Stilbene trans-decafluorostilbene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.42
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SERROZ
Authors/Journal
Authors: S.K.Nechipadappu, J.Ramachandran, Naveen Shivalingegowda,
N.K.Lokanath, D.R.Trivedi
Chemical
Name: 3,4,5-trihydroxybenzoic acid 4-amino-5-fluoropyrimidin-2(1H)-
one
Synonym: flucytosine gallic acid
Source:
Melting Point:
Colour:
Extra Information: Flucytosine is an anti-fungal drug
Experimental
R-Factor (%): 5.64
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SERRUF
Authors/Journal
Authors: S.K.Nechipadappu, J.Ramachandran, Naveen Shivalingegowda,
N.K.Lokanath, D.R.Trivedi
Chemical
Formula: C5 H8 O4,2(C4 H4 F1 N3 O1)
Name: pentanedioic acid bis(4-amino-5-fluoropyrimidin-2(1H)-one)
Synonym: bis(flucytosine) glutaric acid
Source:
Melting Point:
Colour:
Extra Information: Flucytosine is an anti-fungal drug
Experimental
R-Factor (%): 6.32
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SERZIB
Authors/Journal
Authors: Yu Liu, Shichun Li, Jinjiang Xu, Hongli Zhang, Yuxiang Guan,
Huaiyu Jiang, Shiliang Huang, Hui Huang, Zeshan Wang
Chemical
Name: 1,1'-(ethene-1,2-diyl)bis(2,4,6-trinitrobenzene) 4,4'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.61
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SESLIM
Authors/Journal
Authors: S.R.Jebas, T.Balasubramanian
Chemical
Name: bis(4-Aminobenzoic acid) nicotinic acid
Synonym: bis(4-Aminobenzoic acid) niacin; bis(4-Aminobenzoic acid)
vitamin B3
Source:
Melting Point:
Colour: yellow
Extra Information: nicotinic acid is a lipid-lowering agent used to treat
hypertriglyceridaemia
Experimental
R-Factor (%): 7.47
Temperature: 303
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SETWOD
Authors/Journal
Authors: E.Gunther, S.Hunig, K.Peters, H.Rieder, H.G.von Schnering, J.-
U.von Schutz, S.Soderholm, H.-P.Werner, H.C.Wolf
Chemical
Formula: C8 Br2 N4 S2,C6 H4 S4
Name: 2,5-bis(Cyanoimino)-3,6-dibromo-2,5-dihydrothieno(3,2-
b)thiophene tetrathiafulvalene
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SETWOD10
Authors/Journal
Authors: E.Gunther, S.Hunig, J.-U.von Schutz, U.Langohr, H.Rieder,
S.Soderholm, H.-P.Werner, K.Peters, H.G.von Schnering, H.J.Lindner
Journal: Chem.Ber. , 125, 1919, 1992
Chemical
Formula: C8 Br2 N4 S2,C6 H4 S4
Name: 3,6-Dibromo-2,5-bis(cyanoimino)-2,5-dihydrothieno(3,2-b)
thiophene tetrathiafulvalene
Synonym:
Source:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SEVJAH
Authors/Journal
Authors: R.Mekala, P.Jagdish, R.Mathammal
Chemical
Name: 4,6-dimethylpyrimidin-2-amine heptanedioic acid
Synonym: 2-amino-4,6-dimethylpyrimidine pimelic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.05
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEVZOL
Authors/Journal
Authors: J.Henderson, M.Masino, L.E.Hatcher, G.Kociok-Kohn, T.Salzillo,
A.Brillante, P.R.Raithby, A.Girlando, E.Da Como
Chemical
perylene
Synonym: perylene tetracyanoquinodimethane
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SEWZEC
Authors/Journal
Authors: N.Castagnetti, A.Girlando, M.Masino, C.Rizzoli,
M.R.Ajayakumar, M.Mas-Torrent, C.Rovira
Chemical
2,2'-(ethane-1,2-diylidene)bis(1,3-dithiolane)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.26
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIBFAK
Authors/Journal
Authors: S.Nakatsuji, A.Kitamura, A.Takai, K.Nishikawa, Y.Morimoto,
N.Yasuoka, H.Kawamura, H.Anzai
Chemical
Formula: C21 H19 N4,C12 F4 N4
Name: 1,5-Diphenyl-3-(4-methylphenyl)-6-hydro-1H,5H-1,2,4,5-tetra-
azine radical 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Colour: red-violet
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SIBFEO
Authors/Journal
Authors: S.Nakatsuji, A.Kitamura, A.Takai, K.Nishikawa, Y.Morimoto,
N.Yasuoka, H.Kawamura, H.Anzai
Chemical
Formula: C20 H16 Cl1 N4,C12 F4 N4
Name: 1,5-Diphenyl-3-(4-chlorophenyl)-6-hydro-1H,5H-1,2,4,5-tetra-
azine radical 2,3,5,6-tetrafluoro-7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Colour: red-violet
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SIBGUF
Authors/Journal
Authors: T.Senga, K.Kamoshida, L.A.Kushch, G.Saito, T.Inayoshi, I.Ono
Chemical
Name: bis(Ethylenedioxy)dibenzotetrathiafulvalene 2,5-
dimethyltetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.14
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SIBHEQ
Authors/Journal
Authors: T.Senga, K.Kamoshida, L.A.Kushch, G.Saito, T.Inayoshi, I.Ono
Chemical
Name: bis(Ethylenedioxy)dibenzotetrathiafulvalene 2,5-
dimethoxytetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 5.23
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SIBYUA
Authors/Journal
Authors: S.M.Oburn, O.A.Ray, L.R.MacGillivray
Chemical
Name: bis(2-methoxycarbonylbenzoic acid) 4,4'-bipyridine
Synonym: bis(2-(acetyloxy)benzoic acid) 4,4'-bipyridine; bis(aspirin)
4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.99
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIBYUA01
Authors/Journal
Authors: S.M.Oburn, O.A.Ray, L.R.MacGillivray
Chemical
Name: bis(2-methoxycarbonylbenzoic acid) 4,4'-bipyridine
Synonym: bis(2-(acetyloxy)benzoic acid) 4,4'-bipyridine; bis(aspirin)
4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information: slow evaporation
Experimental
R-Factor (%): 7.25
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIFRAD
Authors/Journal
Authors: Mi Yan
Chemical
Name: 1-thiolane-1,1-dione 1,3,5-trinitro-1,3,5-triazinane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for isomer see [NHAZMS]
Experimental
R-Factor (%): 4.16
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIFREH
Authors/Journal
Authors: Mi Yan
Chemical
Name: oxepan-2-one 1,3,5-trinitro-1,3,5-triazinane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.93
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIHBOA
Authors/Journal
Authors: Chen Ru-Yu, Tang Jian-Sheng, Li Chen-Xi, Wang Hong-Gen, Yao
Xin-Kin
Chemical
Formula: C9 H11 N2 O2 P1 S2,C9 H11 N2 O2 P1 S2
Name: 3-Methyl-2-phenoxy-1-thia-3,4-diaza-2-phosphorinan-5-one-2-
thioxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Cell dimension b is 8.041 not 8.353
REFCODE: SIHQOR
Authors/Journal
Chemical
Name: Pyrazine-2-carboxamide pentanedioic acid
Synonym: Pyrazine-2-carboxamide glutaric acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIHRAE
Authors/Journal
Chemical
Name: Pyrazine-2-carboxamide malonic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIJYAN
Authors/Journal
Chemical
Formula: 2(C4 H4 F1 N3 O1),H1 Br1
Name: bis(5-Fluorocytosine) hydrobromide
Synonym: PDB Chemical Component code: 1LD
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.62
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIJZOC
Authors/Journal
Authors: Lei Wang, Lei Zhao, WeiMing Liu, RuiXin Chen, YuanXiang Gu, Yu
Yang
Chemical
Formula: C7 H6 O4,0.5(C4 H6 N2 O2)
Name: 3,5-Dihydroxybenzoic acid piperazine-2,5-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIJZUI
Authors/Journal
Authors: Lei Wang, Lei Zhao, WeiMing Liu, RuiXin Chen, YuanXiang Gu, Yu
Yang
Chemical
Formula: C7 H6 O3,0.5(C4 H6 N2 O2)
Name: 4-Hydroxybenzoic acid piperazine-2,5-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIKLIK01
Authors/Journal
Authors: V.I.Nikolayenko, D.C.Castell, D.P.van Heerden, L.J.Barbour
Chemical
Formula: C25 H16 F6 N2 S2,C6 F4 I2
Name: 4,4'-[(3,3,4,4,5,5-hexafluorocyclopent-1-ene-1,2-diyl)bis(5-
methylthiene-4,2-diyl)]dipyridine 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.54
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIKTEO
Authors/Journal
Authors: G.Gogoi, D.Kashyap, R.J.Sarma
Chemical
Formula: C21 H15 N3 O1,1.5(C2 H2 O4)
Name: N'-((anthracen-9-yl)methylidene)pyridine-4-carbohydrazide
sesquikis(oxalic acid)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 11.61
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIKYIU
Authors/Journal
Authors: A.Blaschette, E.Wieland, T.Hamann, P.G.Jones
Chemical
Formula: C18 H15 O1 P1,C2 H7 N1 O4 S2
Name: Triphenylphosphine oxide dimesylamine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: CSD 54464 contains no additional information
REFCODE: SILFEZ
Authors/Journal
Authors: B.Samas, W.Wang, D.B.Godrej
Chemical
Name: (S)-3-(Ammoniomethyl)-5-methylhexanoate (S)-mandelic acid
Synonym: Pregabalin (S)-mandelic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SILKIH
Authors/Journal
Authors: H.Ishida, K.Yui, Y.Aso, T.Otsubo, F.Ogura
Chemical
Name: 2,2',5,5'-Tetrathiafulvalene 5,5'-bis(dicyanomethylene)-5,5'-
dihydro-cdelta$2,2'!-bifuran
Synonym:
Source:
Colour: black
Extra Information:
Experimental
R-Factor (%): 7.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SIMBIC
Authors/Journal
Authors: M.S.Souza, L.F.Diniz, L.Vogt, P.S.Carvalho, R.F.Dvries,
J.Ellena
Chemical
Name: octanoic acid 4-amino-5-fluoropyrimidin-2(1H)-one
Synonym: 5-Fluorocytosine caprylic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIMBOI
Authors/Journal
Authors: M.S.Souza, L.F.Diniz, L.Vogt, P.S.Carvalho, R.F.Dvries,
J.Ellena
Chemical
Name: 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 4-amino-5-
fluoropyrimidin-2(1H)-one
Synonym: 5-Fluorocytosine caffeine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.71
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIMHAY
Authors/Journal
Authors: P.Metrangolo, F.Meyer, T.Pilati, G.Resnati, G.Terraneo
Chemical
Name: 4,4'-Bipyridine 2,4,5,6-tetrafluoro-1,3-diiodobenzene
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.98
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIPSEQ
Authors/Journal
Authors: B.Hatano, A.Aikawa, H.Katagiri, H.Tagaya, H.Takahashi
Chemical
Name: quinoline N-oxide 4-(1,1,3,3-tetramethylbutyl)phenol
Synonym: PDB Chemical Component code: 27L
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIQNIS
Authors/Journal
Authors: S.Allu, K.Suresh, G.Bolla, M.K.Chaitanya Mannava, Ashwini
Nangia
Chemical
Name: 4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-
sulfamoylbenzamide 4,4'-bipyridine
Synonym: Indapamide 4,4'-bipyridine
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIQNOY
Authors/Journal
Nangia
Chemical
sulfamoylbenzamide phenazine
Synonym: Indapamide phenazine
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.31
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIQNUE
Authors/Journal
Nangia
Chemical
sulfamoylbenzamide 6-methylpyridin-2(1H)-one
Synonym: indapamide-methylpyridone
Source:
Colour: colorless
Extra Information: Indapamide is a diuretic used to treat hypertension and
decompensated heart failure
Experimental
R-Factor (%): 6.06
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIQPAM
Authors/Journal
Nangia
Chemical
sulfamoylbenzamide 2,2'-bipyridine
Synonym: Indapamide 2,2'-bipyridine
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.98
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SITCUU
Authors/Journal
Authors: Peng Liang
Chemical
Name: Pyridine-2,4-dicarboxylic acid serine
Synonym: PDB Chemical Component code: PD2
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.61
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIVBAA
Authors/Journal
Authors: G.M.Frankenbach, M.A.Beno, J.M.Williams
Chemical
Formula: C6 H4 S4,C6 H4 O2
Name: 2,2',5,5'-Tetrathiafulvalene p-benzoquinone
Synonym:
Source:
Colour: deep green-yellow
Extra Information:
Experimental
R-Factor (%): 2.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SIXFAH
Authors/Journal
Chemical
Name: N-methylpiperidine betaine p-hydroxybenzoic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.44
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIXYAZ
Authors/Journal
Authors: E.Tillmanns, S.Hunig, T.Metzenthin, H.Rieder, J.U.Von Schutz,
H.C.Wolf
Chemical
Name: 3,3',4,4'-Tetramethyl-2,2',5,5'-tetrathiafulvalene 1,4-
phenylene-bis(diazenecarbonitrile)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SIYCEJ
Authors/Journal
Authors: S.Goswami, S.Jana, N.K.Das, Hoong-Kun Fun, S.Chantrapromma
Chemical
Name: bis(2-Amino-4-methyl-6-phenylpyrimidine) isophthalic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIYWAZ
Authors/Journal
Authors: Hui Jiang, Xian-Wu Dong
Chemical
Formula: C8 H6 O4,1.5(C20 H22 N4)
Name: Terephthalic acid sesquikis(2,2'-dimethyl-1,1'-(butane-1,4-
diyl)-bis(benzimidazole))
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIZKIX01
Authors/Journal
Authors: N.Tyagi, N.Sinha, H.Yadav, B.Kumar
Chemical
Name: bis(glycine) 3,4-dihydroxycyclobut-3-ene-1,2-dione
Synonym: bis(glycine) squaric acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SIZZUZ
Authors/Journal
Authors: S.Ranjan, R.Devarapalli, S.Kundu, V.R.Vangala, Animesh Ghosh,
C.Malla Reddy
Chemical
Formula: C7 H8 Cl1 N3 O4 S2,2(C7 H10 N2)
Name: 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide
1,1-dioxide bis(N,N-dimethylpyridin-4-amine)
Synonym: Hydrochlorothiazide bis(4-(dimethylamino)pyridine)
Source:
Melting Point:
Colour: colorless
Extra Information: Hydrochlorothiazide (HCTZ/HCT) is a diuretic BCS class IV drug
Experimental
R-Factor (%): 4.82
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SKATCE10
Authors/Journal
Authors: E.E.Castellano, B.E.Rivero, A.D.Podjarny, M.E.Roselli
1726, 1980
Chemical
Formula: C9 H9 N1,C6 N4
Name: Skatole tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour: blue
Extra Information:
Experimental
R-Factor (%): 11.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SLCADC01
Authors/Journal
Authors: J.Emsley, N.M.Reza, R.Kuroda
Chemical
Name: Salicylic acid urea
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SLCADC10
Authors/Journal
Authors: I.-N.Hsu, R.W.Gellert
Chemical
Name: Salicylic acid urea
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SMZTMP
Authors/Journal
Authors: G.Giuseppetti, C.Tadini, G.P.Bettinetti, F.Giordano, A.la
Manna
Journal: Farmaco,Ed.Sci. , 35, 138, 1980
Chemical
Name: 3-Sulfanilamido-5-methylisoxazole 2,4-diamino-5-(3,4,5-
trimethoxybenzyl)-pyrimidine
Synonym: trimethoprim sulfamethoxazole
Source:
Colour:
Extra Information: trimethoprim/sulfamethoxazole (co-trimoxazole) was
investigated in 2020 as a potential candidate to target COVID-19 (coronavirus)
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SOBBAM
Authors/Journal
Authors: S.Selladurai, K.Subramanian, C.Nagaraju
Chemical
Formula: C20 H14 N1 O2 P1 S1,C8 H19 N1
Name: 2-Aminodinaphtho(2,1-d:1',2'-f)(1,3,2)dioxaphosphepine-2-
thione di-n-butylamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: y(O1) is 0.0541 not 0.514
REFCODE: SOCMEE
Authors/Journal
Authors: B.C.Felix-Sonda, J.Rivera-Islas, D.Herrera-Ruiz, H.Morales-
Rojas, H.Hopfl
Chemical
Name: 2-((5-Nitro-1,3-thiazol-2-yl)carbamoyl)phenyl acetate
pentanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOCMII
Authors/Journal
Authors: B.C.Felix-Sonda, J.Rivera-Islas, D.Herrera-Ruiz, H.Morales-
Rojas, H.Hopfl
Chemical
Name: 2-((5-Nitro-1,3-thiazol-2-yl)carbamoyl)phenyl acetate
hemikis(succinic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SODDOF03
Authors/Journal
Authors: Kwang-Joo Kim, J.Ulrich, Kyeong-Sill Lee
Chemical
Name: salicylic acid nicotinamide
Synonym: 2-hydroxybenzoic acid nicotinamide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.37
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOGXUH
Authors/Journal
Authors: Z.Malarski, T.Lis, E.Grech
Chemical
Name: 5,6,7,8-Tetrahydroquinoline pentachlorophenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Density (CCDC): 1.6
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SOJPEM
Authors/Journal
Authors: R.M.Fuquen, J.R.Lechat, R.H.De Almeida Santos
Chemical
Name: 4-Nitropyridine N-oxide 2-aminobenzoic acid
Synonym:
Source:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.92
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SOLJEK
Authors/Journal
Authors: Lu-Lu Han, Zhong-Hui Li, Jiang-Shan Chen, Xing-Po Wang, Di Sun
Chemical
Formula: C10 H14 N4,0.5(C8 H14 O4)
Name: 3,3',5,5'-tetramethyl-1H,1'H-4,4'-bipyrazole
hemikis(octanedioic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.78
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOLJIO
Authors/Journal
Authors: Lu-Lu Han, Zhong-Hui Li, Jiang-Shan Chen, Xing-Po Wang, Di Sun
Chemical
Formula: 0.5(C10 H18 O4),C10 H14 N4
Name: 3,3',5,5'-tetramethyl-1H,1'H-4,4'-bipyrazole
hemikis(decanedioic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.56
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOMJEK
Authors/Journal
Authors: Xiao-Ling Li, Miao-Ling Huang
Chemical
Name: 5-(2-Methyl-2-propanyl)isophthalic acid 4,4'-
sulfanediyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOMKEL
Authors/Journal
Authors: Lu-Fang Ma, Zhao-Lian Yu, Xiao-Yi Yang
Chemical
Name: 5-Methylisophthalic acid 4,4'-(1,3-propanediyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.19
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SONCED
Authors/Journal
Authors: G.S.Prasad, M.Vijayan
Chemical
Name: L-Phenylalanine D-valine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Cell parameter c is 13.414, not 14.414
REFCODE: SOQCOQ
Authors/Journal
Authors: O.Saied, M.Simard, J.D.Wuest
Chemical
Name: 2,2'-(Ethynediyl)bis(6-(1,1-dimethylethyl)-4-methylphenol)
3,3,5,5-tetramethylcyclohexanone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.88
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SOQDIN
Authors/Journal
Authors: P.Dhamodharan
Chemical
Name: 2,4,6-Trinitrobenzene-1,3-diol bis(1-methyl-1H-pyrrole)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.49
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOQKAN
Authors/Journal
Authors: R.Rogers
Chemical
Formula: C8 H12 N2 O2,2(C8 Cl2 N2 O2)
Name: 4,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
2,3,5,6-tetramethylpyrazine-N,N'-dioxide
Synonym:
Source:
Melting Point:
Colour: deep red
Extra Information:
Experimental
R-Factor (%): 5.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SORBPY20
Authors/Journal
Authors: H.S.Kim, G.A.Jeffrey, R.D.Rosenstein
307, 1971
Chemical
Name: D-Glucitol pyridine
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SORWEB
Authors/Journal
Authors: M.R.Caira
Chemical
aminobenzoic acid
Synonym: Sulfamethazine 2-aminobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SORWED
Authors/Journal
Authors: Lei Wang, Yanjing Hu, Wenyan Xu, Yanyan Pang, Faqian Liu, Yu
Yang
Chemical
Name: 2,3,5,6-tetrabromoterephthalic acid bis(5-nitro-1,10-
phenanthroline)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SORWIF
Authors/Journal
Authors: M.R.Caira
Chemical
aminobenzoic acid
Synonym: Sulfamethazine 4-aminobenzoic acid
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SORXED
Authors/Journal
Authors: M.I.M.Tahir, N.H.Rees, S.J.Heyes, A.R.Cowley, K.Prout
Chemical
Name: 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid (1S)-(+)-
endo-3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Synonym: Deoxycholic acid S-3-bromocamphor; PDB Chemical Component
code: DXC
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 3.98
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SORYEG
Authors/Journal
Authors: Qichun Zhang
Chemical
Formula: C38 H28,2(C12 H4 N4)
Name: bis(2,2'-(cyclohexa-2,5-diene-1,4-
diylidene)dipropanedinitrile) 8,8,17,17-tetramethyl-8,17-dihydrodiindeno[1,2,3-
de:1',2',3'-op]pentacene
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 16.15
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOSBAD
Authors/Journal
Authors: P.van Roey, K.A.Bullion, Y.Osawa, L.J.Browne, R.M.Bowman,
D.G.Braun
Journal: J.Enzyme Inhib. , 5, 119, 1991
Chemical
Formula: C18 H12 N4,0.5(C4 H6 O4)
Name: bis(p-Cyanophenyl)imidazolylmethane succinic acid
Synonym: CGS 18320B
Source:
Melting Point:
Colour:
Extra Information: aromatase inhibitory activity
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Space group is P-1, not P1
REFCODE: SOVFIS01
Authors/Journal
Authors: Jan Moncol
Chemical
Name: hexanedioic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOVGEP
Authors/Journal
Authors: V.Cody, J.Luft, M.McCourt, K.Irmscher
Chemical
Formula: 2(C18 H15 O1 P1),C16 H10 Br2 O4
Name: bis(Triphenylphosphine oxide) 3',5'-dibromo-3-methyl-6,4'-
dihydroxyflavone
Synonym: PDB Chemical Component code: FL8
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SOVXUZ
Authors/Journal
Authors: T.A.Vaganova, Y.V.Gatilov, E.Benassi, I.P.Chuikov,
Chemical
Name: bis(3,5-dichloro-2,6-difluoropyridin-4-amine) 18-crown-6
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.74
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOVYAG
Authors/Journal
Chemical
Name: bis(3,5,6-trifluoropyridin-2-amine) 18-crown-6
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.21
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOVYEK
Authors/Journal
Chemical
Name: bis(4-chloro-3,5,6-trifluoropyridin-2-amine) 18-crown-6
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.35
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOVYIO
Authors/Journal
Chemical
Name: bis(5,7-difluoroquinolin-2-amine) 18-crown-6
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.04
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOVYOU
Authors/Journal
Chemical
Name: bis(2-chloro-5,6,8-trifluoroquinolin-7-amine) 18-crown-6
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOVYUA
Authors/Journal
Chemical
Formula: C12 H24 O6,2(C20 H14 F3 N3)
Name: bis(N$4!-[(anthracen-9-yl)methyl]-3,5,6-trifluoropyridine-2,4-
diamine) 18-crown-6
Synonym:
Source:
Colour: bronze
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOWDEP
Authors/Journal
Authors: S.dAgostino, D.Braga, F.Grepioni, P.Taddei
Chemical
Formula: C19 H18 N2 O2,I2
Name: 2-(1-azabicyclo[2.2.2]oct-3-yl)-1H-benzo[de]isoquinoline-
1,3(2H)-dione iodine
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 10.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOWHUI
Authors/Journal
Authors: R.Sarma, J.B.Baruah
Chemical
Name: p-Phenylenediboronic acid bis(pyridine N-oxide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.93
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOWJAQ
Authors/Journal
Chemical
Name: 1,4-Phenylenediboronic acid bis(quinoline N-oxide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOWJEU
Authors/Journal
Chemical
Name: 1,4-Phenylenediboronic acid tetrakis(isoquinoline-N-oxide)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.1
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOWJIY
Authors/Journal
Chemical
Name: 1,4-Phenylenediboronic acid 4,4'-bipyridine-N,N'-dioxide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SOWLOF
Authors/Journal
Authors: E.S.Martinez, R.D.Calleja, P.Berges, J.Kudnik, G.Klar
Chemical
Formula: C8 H10 O2,C6 N4
Name: 1,2-Dimethoxybenzene tetracyanoethene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.25
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SOXJIY
Authors/Journal
Authors: P.Berges, V.Mansel, G.Klar
Chemical
Formula: C24 H22 O6 S4,2(C8 Cl2 N2 O2)
Name: 2,3,6,9,10,13-Hexamethoxy-5,7,12,14-tetrathia-5,7,12,14-
tetrahydropentacene bis(2,3-dichloro-5,6-dicyano-1,4-benzoquinone)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: STHSAM01
Authors/Journal
Authors: E.Shefter, P.Sackmann
Chemical
Name: Sulfathiazole sulfanilamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SUBQAH
Authors/Journal
Authors: M.Dotze, H.Czepat, J.Kudnig, G.Klar
Chemical
Formula: 2(C16 H16 S4 Se2),C12 H4 N4
Name: bis(2,3,7,8-tetrakis(Methylthio)selenanthrene) 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Cell volume reported as 1216.6,4 in the paper; 1163.4,3 from
the supplementary data has been used
REFCODE: SUBQIP
Authors/Journal
Authors: M.Dotze, H.Czepat, J.Kudnig, G.Klar
Chemical
Formula: 2(C16 H16 S6),C12 H4 N4
Name: bis(2,3,7,8-tetrakis(Methylthio)thianthrene) 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SUCTAN01
Authors/Journal
Chemical
Name: bis(N,N-Dimethylurea) succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUCTIV02
Authors/Journal
Chemical
Name: bis(N,N-Dimethylurea) fumaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.07
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUDDEC06
Authors/Journal
Chemical
Name: bis(N-methylurea) butanedioic acid
Synonym: bis(N-methylurea) succinic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.32
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUDFOO02
Authors/Journal
Chemical
Name: bis(N-methylurea) trans-butenedioic acid
Synonym: bis(N-methylurea) fumaric acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.87
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUGCAY
Authors/Journal
Authors: A.Izuoka, M.Fukada, T.Sagawara, M.Sakai, S.Bandow
Chemical
Name: 1,3,5-tris(4',4',5',5'-Tetramethylimidazolin-2'-yl)benzene
3',3'',3'''-trioxide 1',1'',1'''-trioxyl 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SUHRAR
Authors/Journal
Authors: M.Rajkumar, P.Muthuraja, M.Dhandapani, A.Chandramohan
Journal: Optics & Laser Techn. , 124, 105970, 2020
Chemical
Name: benzene-1,3,5-tricarboxylic acid 3,5-dimethyl-1H-pyrazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.45
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SULLAM
Authors/Journal
Authors: M.Hasegawa, K.Kinbara, Y.Adegawa, K.Saigo
Chemical
Formula: C20 H16 N2,2(C17 H16 N2 O2)
Name: 2,5-Distyrylpyrazine bis(ethyl 4-(2-(2-
pyrazinyl)ethenyl)cinnamate)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 8.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Dx given as 1.25, we find 1.28
REFCODE: SULTHE01
Authors/Journal
Authors: E.Shefter, P.Sackmann
Chemical
Name: Sulfathiazole theophylline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SURROM
Authors/Journal
Authors: I.Azumaya, K.Yamaguchi, I.Okamoto, H.Kagechika, K.Shudo
Chemical
Name: (R,R)-1,2-bis(N-Benzoyl-N-methylamino)benzene (R)-1,1'-bi-2-
naphthol
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SUTRUX
Authors/Journal
Authors: Xia-Lin Dai, Jia Yao, Chao Wu, Jun-Hui Deng, Yong-Hui Mo,
Tong-Bu Lu, Jia-Mei Chen
Chemical
Name: pyridine-4-carboxamide 1,5-dihydro-4H-pyrazolo[3,4-
d]pyrimidin-4-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.25
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUTSAE
Authors/Journal
Authors: Xia-Lin Dai, Jia Yao, Chao Wu, Jun-Hui Deng, Yong-Hui Mo,
Tong-Bu Lu, Jia-Mei Chen
Chemical
Name: bis(1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one) piperazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUVBAP
Authors/Journal
Authors: P.Roy, Animesh Ghosh
Chemical
Name: pyridin-1-ium-2-carboxylate 5-chlorobenzo[d]oxazol-2(3H)-one
Synonym:
Source:
Melting Point:
Colour: whiteish colorless
Extra Information: LIQUID ASSISTED GRINDING WITH ACN
Experimental
R-Factor (%): 3.59
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUVJEY
Authors/Journal
Authors: S.Goswami, A.K.Mahapatra, K.Ghosh, G.D.Nigam, K.Chinnakali,
H.-K.Fun
Chemical
Name: 2-Aminopyrimidine terephthalic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.84
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SUVNEC
Authors/Journal
Authors: S.Fukushima, H.Hosomi, S.Ohba, M.Kawashima
Chemical
Name: (S)-2,2'-Dihydroxy-1,1'-binaphthyl (R,R)-1,2-
cyclohexanediamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [DIFFOO]
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SUVNEC01
Authors/Journal
Chemical
Name: (R,R)-(-)-1,2-Diaminocyclohexane (S)-(-)-1,1'-bi-2-naphthol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [DIFFOO]
Experimental
R-Factor (%): 2.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUVZEO
Authors/Journal
Authors: R.Moreno-Fuquen, J.Valderrama-Naranjo, A.M.Montano
Chemical
Name: 4-Nitropyridine N-oxide 3-hydroxybenzoic acid
Synonym:
Source:
Melting Point: 475K
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: SUWYIT
Authors/Journal
Authors: D.W.Bruce, P.Metrangolo, F.Meyer, T.Pilati, C.Prasang,
G.Resnati, G.Terraneo, S.G.Wainwright, A.C.Whitwood
Chemical
Formula: C23 H31 N1 O1,C20 H19 F4 I1 O1
Name: 1,2,4,5-Tetrafluoro-3-(2-(4-(hexyloxy)phenyl)vinyl)-6-
iodobenzene 4-(2-(4-(decyloxy)phenyl)vinyl)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.65
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUXVOW
Authors/Journal
Authors: M.Tomura, Y.Yamashita
Chemical
Name: Phthalic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUXVUC
Authors/Journal
Chemical
Name: Phthalic acid 4,4'-dipyridylacetylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.5
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUYWEP
Authors/Journal
Authors: S.Natarajan, V.Hema, J.K.Sundar, J.Suresh, P.L.N.Lakshman
Chemical
Name: 4-Amino-2-ammonio-4-oxobutanoate 2,3-dihydroxysuccinate
Synonym: L-Asparaginium L-tartrate
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUYYIW
Authors/Journal
Authors: Shouwen Jin, Lanqing Wang, Yulei Lou, Li Liu, Bin Li, Linyu
Li, Chao Feng, Hui Liu, Daqi Wang
Chemical
Name: 2-hydroxy-3,5-dinitrobenzoic acid 4-
(dimethylamino)benzaldehyde
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.59
Temperature: 298
Density (CCDC): 1.5
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUYYOC
Authors/Journal
Chemical
Name: 4-nitrophthalic acid 4-(dimethylamino)benzaldehyde
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.81
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUYZAP
Authors/Journal
Chemical
Name: 4-(dimethylamino)benzaldehyde hemikis(oxalic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.45
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUZCOH
Authors/Journal
Chemical
Name: 3-nitrophthalic acid 4-(dimethylamino)benzaldehyde
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: SUZZOC
Authors/Journal
Authors: D.Hashizume, M.Iegaki, M.Yasui, F.Iwasaki, Jiben Meng, Zhong
Wen, T.Matsuura
Chemical
Name: Benzotriazole 3-nitrobenzoic acid
Synonym:
Source:
Melting Point: 406.0-406.5K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.2
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACBAC
Authors/Journal
Chemical
Name: Decanedioic acid 4,4'-ethane-1,2-diyldipyridine
Synonym: sebacic acid 4,4'-ethane-1,2-diyldipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.45
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACBEG
Authors/Journal
Chemical
Name: Octanedioic acid 4,4'-ethane-1,2-diyldipyridine
Synonym: suberic acid 4,4'-ethane-1,2-diyldipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACBIK
Authors/Journal
Chemical
Name: Nonanedioic acid 4,4'-ethane-1,2-diyldipyridine
Synonym: azelaic acid 4,4'-ethane-1,2-diyldipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.24
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACBOQ
Authors/Journal
Chemical
Name: Decanedioic acid 4,4'-propane-1,3-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACBUW
Authors/Journal
Chemical
Name: Pentanedioic acid 4,4'-propane-1,3-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACCAD
Authors/Journal
Chemical
Name: Hexanedioic acid 4,4'-propane-1,3-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACCEH
Authors/Journal
Chemical
Name: Heptanedioic acid 4,4'-propane-1,3-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACCIL
Authors/Journal
Chemical
Name: 4,4'-Ethane-1,2-diyldipyridine succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACCIL01
Authors/Journal
Chemical
Name: 1,2-bis(4-Pyridyl)ethane succinic acid
Synonym: 4,4'-Ethane-1,2-diyldipyridine butanedioic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.07
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACCUX
Authors/Journal
Chemical
Name: Hexanedioic acid 4,4'-ethane-1,2-diyldipyridine
Synonym: adipic acid 4,4'-ethane-1,2-diyldipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACCUX01
Authors/Journal
Chemical
Name: 1,2-bis(4-Pyridyl)ethane adipic acid
Synonym: 4,4'-Ethane-1,2-diyldipyridine hexanedioic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACDAE
Authors/Journal
Chemical
Name: Heptanedioic acid 4,4'-ethane-1,2-diyldipyridine
Synonym: pimelic acid 4,4'-ethane-1,2-diyldipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACDAE01
Authors/Journal
Authors: T.Sasaki, S.Sakamoto, K.Nishizawa, S.Takamizawa
Chemical
Name: heptanedioic acid 4,4'-(ethane-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.9
Temperature: 303
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TACDAE02
Authors/Journal
Authors: T.Sasaki, S.Sakamoto, K.Nishizawa, S.Takamizawa
Chemical
Name: heptanedioic acid 4,4'-(ethane-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.05
Temperature: 303
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAFDAF
Authors/Journal
Authors: O.V.Semidetko, L.A.Chetkina, V.K.Bel'skii, A.M.Andrievskii,
A.N.Poplavskii, K.M.Dyumaev
Chemical
Formula: C13 H6 N4 O7,C6 H18 N3 O1 P1
Name: 2,4,8-Trinitro-6(5H)-phenanthridinone
hexamethylphosphatriamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: y(C17) is 0.3330, not 0.0333
REFCODE: TAGJOB
Authors/Journal
Authors: Chi-Tien Chen, Chi-An Huang, Yi-Ren Tzeng, Bor-Hunn Huang
Chemical
Name: trans-N$1!,N$3!-Diphenyl-N$2!,N$4!-bis(2-
dimethylaminoethyl)oxamidine cis-N$1!,N$3!-diphenyl-N$2!,N$4!-bis(2-
dimethylaminoethyl)oxamidine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAJHET
Authors/Journal
Authors: Chun-Yang Zheng, Dun-Jia Wang, Ling Fan
Chemical
Formula: 0.5(C23 H22 N2),0.5(C23 H22 N2)
Name: 3-(4-t-Butylphenyl)-5-(2-naphthyl)-1H-pyrazole 5-(4-t-
butylphenyl)-3-(2-naphthyl)-1H-pyrazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: The authors report the compound exists as a pair of tautomers
Experimental
R-Factor (%): 9.19
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAJWIM
Authors/Journal
Authors: Wei You, Hao-Yu Zhu, Wei Huang, Bin Hu, Ying Fan, Xiao-Zeng
You
Chemical
Formula: C15 H12 Cl2 N4 O2,C15 H12 Cl2 N4 O2
Name: cis-5-((3,4-Dichlorophenyl)hydrazono)-1-ethyl-4-methyl-2,6-
dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile trans-5-((3,4-
dichlorophenyl)hydrazono)-1-ethyl-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-
carbonitrile
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.49
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAKLEX
Authors/Journal
Authors: R.F.Ambartsumova, B.Tashkhodzhaev, M.Yu.Antipin,
Kh.M.Shakhidoyatov
2002
Chemical
Formula: C9 H11 N3 O1 S1,2(H1 Cl1)
Name: 6-(2-Hydroxyethylamino)-2-iminobenzothiazoline
bis(hydrochloride)
Synonym:
Source:
Colour: light brown
Extra Information:
Experimental
R-Factor (%): 7.32
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes: It was not possible to determine which nitrogen atoms are
protonated
REFCODE: TAKTUV
Authors/Journal
Authors: Yu.V.Kokunov, L.V.Khmelevskaya, Yu.E.Gorbunova, Yu.N.Mikhailov
Chemical
Formula: H8 Ca1 Cl2 O4,C6 H12 N4
Name: Tetraaqua-dichloro-calcium hexamethylenetetramine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.95
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAMBUE
Authors/Journal
Authors: D.J.R.Brook, R.C.Haltiwanger, T.H.Koch
Chemical
Name: 4a,8a-Diaza-2,6-dioxa-3,4,7,8-tetrahydro-4,4,8,8-
tetramethylanthracene-1,5-dione bis(tetracyanoquinodimethane)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.04
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TAMBUE01
Authors/Journal
Authors: D.J.R.Brook, T.H.Koch
Chemical
Name: (4a,8a-Diaza-2,6-dioxa-3,4,7,8-tetrahydro-4,4,8,8-
tetramethylanthracene-1,5-dione) bis(tetracyanoquinodimethane)
Synonym:
Source:
Melting Point:
Colour: greenish-black
Extra Information:
Experimental
R-Factor (%): 10.52
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TANYUF
Authors/Journal
Authors: Jian-Ge Wang, Weizhou Wang
Chemical
Formula: 2(C12 H7 Cl1 N2),C6 F4 I2
Name: bis(2-chloro-1,10-phenanthroline) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAPFIZ
Authors/Journal
Authors: J.Ondracek, M.Walzelova, Z.Micka, J.Novotny
Chemical
Formula: C2 H5 N1 O2,H2 O3 Se1
Name: Glycine selenious acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TAPNAZ
Authors/Journal
Authors: N.Thorup, M.Hjorth, J.B.Christensen, K.Bechgaard
Chemical
Name: 3,8-Diethyl-5,10-dimethyl-1,6-dioxapyrene 7,7,8,8-tetracyano-
p-quinodimethane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TAPZIU
Authors/Journal
Authors: M.S.Fonari, E.V.Ganin, Wen-Jwu Wang
Chemical
Formula: C8 H16 O4,2(C19 H16 S1)
Name: 1,4,7,10-Tetraoxacyclododecane bis(triphenylmethanethiol)
Synonym: 12-Crown-4 bis(triphenylmethanethiol)
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.64
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TARLAA
Authors/Journal
Authors: R.Chitra, A.Das, R.R.Choudhury, M.Ramanadham, S.Lakshmi,
M.A.Sridhar, J.S.Prasad
Chemical
Name: bis(Thiourea) diethyl oxalate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TASLAA
Authors/Journal
Authors: H.Koshima, K.Ding, Y.Chisaka, T.Matsuura, Y.Ohashi, M.Mukasa
Chemical
Name: 1-Naphthylacetic acid 1,2,4,5-tetracyanobenzene
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TASLEE
Authors/Journal
Authors: H.Koshima, K.Ding, Y.Chisaka, T.Matsuura, Y.Ohashi, M.Mukasa
Chemical
Name: 3-Indolylacetic acid 1,2,4,5-tetracyanobenzene
Synonym:
Source:
Colour: red-yellow
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TAVZOI06
Authors/Journal
Authors: T.S.Chia, C.K.Quah
285, 2017
Chemical
Name: 4-methoxybenzoic acid isonicotinamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.15
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAWDOL
Authors/Journal
Authors: Ying-zhong Shen, Jian-Jun Xue, Yi-Zi Li, Hu-lin Li
Chemical
Formula: C2 H8 N2,2(H3 N1 O3 S1)
Name: Ethylenediamine bis(sulfamic acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.28
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAWFEF
Authors/Journal
Authors: R.Liu, Y.J.Gao, W.J.Jin
247, 2017
Chemical
Formula: 3(C14 H12 N2),4(C6 F4 I2)
Name: tris(4,7-dimethyl-1,10-phenanthroline) tetrakis(1,2,4,5-
tetrafluoro-3,6-di-iodobenzene)
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 6.63
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAWFOP
Authors/Journal
Authors: R.Liu, Y.J.Gao, W.J.Jin
247, 2017
Chemical
Formula: C12 H6 Cl2 N2,0.5(C6 F4 I2)
Name: 4,7-dichloro-1,10-phenanthroline hemikis(1,2,4,5-tetrafluoro-
3,6-di-iodobenzene)
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAWNEL
Authors/Journal
Authors: R.Moreno-Fuquen, A.M.Montano, R.Atencio
Chemical
Name: Isoquinoline 1-oxide 2-nitrobenzoic acid
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZBAA
Authors/Journal
Authors: I.Georgiou, S.Kervyn, A.Rossignon, F.De Leo, J.Wouters,
G.Bruylants, D.Bonifazi
Chemical
Formula: C14 H8 N4,2(C10 H9 B1 O2)
Name: bis(1-naphthylboronic acid) quinoxalino[2,3-b]quinoxaline
Synonym:
Source:
Melting Point:
Colour: purple
Extra Information:
Experimental
R-Factor (%): 5.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: The structure contains void spaces
REFCODE: TAZBEE
Authors/Journal
Chemical
Name: bis(mesitylboronic acid) quinoxalino[2,3-b]quinoxaline
Synonym:
Source:
Melting Point:
Colour: purple
Extra Information:
Experimental
R-Factor (%): 4.85
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZBII
Authors/Journal
Chemical
Formula: C14 H8 N4,2(C6 H6 B1 Cl1 O2)
Name: bis((4-chlorophenyl)boronic acid) quinoxalino[2,3-
b]quinoxaline
Synonym:
Source:
Melting Point:
Colour: purple
Extra Information:
Experimental
R-Factor (%): 3.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZBOO
Authors/Journal
Chemical
Name: bis(phenylboronic acid) quinoxalino[2,3-b]quinoxaline
Synonym:
Source:
Melting Point:
Colour: purple
Extra Information:
Experimental
R-Factor (%): 6.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZJEM
Authors/Journal
Chemical
Name: phenylboronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZJIQ
Authors/Journal
Chemical
Formula: C6 H5 B1 F2 O2,C8 H6 N2
Name: (2,6-difluorophenyl)boronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZJOW
Authors/Journal
Chemical
Name: (2,6-dichlorophenyl)boronic acid 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZJUC
Authors/Journal
Chemical
Name: (2,6-dichlorophenyl)boronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZKAJ
Authors/Journal
Chemical
Name: (2,6-difluorophenyl)boronic acid 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.45
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZKEN
Authors/Journal
Chemical
Name: (2,6-dibromophenyl)boronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZKIR
Authors/Journal
Chemical
Name: (2,6-dibromophenyl)boronic acid 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZKOX
Authors/Journal
Chemical
Name: mesitylboronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZKUD
Authors/Journal
Chemical
Name: (4-fluorophenyl)boronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZLAK
Authors/Journal
Chemical
Name: (4-chlorophenyl)boronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.24
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZLEO
Authors/Journal
Chemical
Name: (4-chlorophenyl)boronic acid 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZLIS
Authors/Journal
Chemical
Name: (4-bromophenyl)boronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZLOY
Authors/Journal
Chemical
Name: (4-methoxyphenyl)boronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.08
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZLUE
Authors/Journal
Chemical
Formula: C7 H9 B1 O2 S1,C8 H6 N2
Name: (4-(methylsulfanyl)phenyl)boronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.48
Temperature: 293
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZMEP
Authors/Journal
Chemical
Name: (3,4,5-trifluorophenyl)boronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.01
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZMIT
Authors/Journal
Chemical
Name: (3,4,5-trifluorophenyl)boronic acid 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZMOZ
Authors/Journal
Chemical
Name: 1-naphthylboronic acid 1,8-naphthyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZMUF
Authors/Journal
Chemical
Formula: 1.5(C6 H8 B2 O4),2(C8 H6 N2)
Name: sesquikis(1,4-phenylenediboronic acid) bis(1,8-naphthyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZNAM
Authors/Journal
Chemical
Formula: C4 H6 B2 O4 S1,2(C8 H6 N2)
Name: thiene-2,5-diyldiboronic acid bis(1,8-naphthyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZNEQ
Authors/Journal
Chemical
Name: (2,6-bis(trifluoromethyl)phenyl)boronic acid 1,10-
phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZNUG
Authors/Journal
Chemical
Name: 1,4-phenylenediboronic acid quinoxalino[2,3-b]quinoxaline
Synonym:
Source:
Melting Point:
Colour: purple
Extra Information:
Experimental
R-Factor (%): 10.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZPES
Authors/Journal
Chemical
Formula: C6 H6 B1 Br1 O2,0.5(C14 H8 N4)
Name: (4-bromophenyl)boronic acid hemikis(quinoxalino[2,3-
b]quinoxaline)
Synonym:
Source:
Melting Point:
Colour: purple
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZPOC
Authors/Journal
Chemical
Formula: C7 H9 B1 O3,0.5(C14 H8 N4)
Name: (4-methoxyphenyl)boronic acid hemikis(quinoxalino[2,3-
b]quinoxaline)
Synonym:
Source:
Melting Point:
Colour: purple
Extra Information:
Experimental
R-Factor (%): 6.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZQAM
Authors/Journal
Authors: R.Pellicciari, M.Marinozzi, B.Natalini, G.Constantino,
R.Luneia, G.Giorgi, F.Moroni, C.Thomsen
Chemical
Name: (2S,1'R,2'S,3'S)-2-(2'-Carboxy-3'-phenylcyclopropyl)glycine
hydrogen bromide
Synonym:
Source:
Colour: colorless
Extra Information: absolute configuration; potential activity as a ligand acting
at excitatory amino acid receptors
Experimental
R-Factor (%): 6.1
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TAZWOH
Authors/Journal
Authors: S.R.Perumalla, E.Suresh, V.R.Pedireddi
Chemical
Name: 9H-purin-6-amine benzoic acid
Synonym: Adenine benzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.99
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TCAPLI
Authors/Journal
Authors: E.L.Ahlsen, K.O.Stromme
Chemical
Name: N-Methyl-thiocaprolactam-iodine complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.87
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TCQANT
Authors/Journal
168, 1968
Chemical
Name: 2,2'-cyclohexa-2,5-diene-1,4-diylidenedimalononitrile
anthracene
Synonym: 7,7,8,8-Tetracyanoquinodimethane-anthracene
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TCQBDX
Authors/Journal
Authors: I.Goldberg, U.Shmueli
432, 1973
Chemical
Name: 7,7,8,8-Tetracyanoquinodimethane-dibenzo-p-dioxin
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes: BONDS C1'-H1' AND C3'-H3' HAVE BEEN INTERCHANGED IN TABLE
6.THEIR VALUES ARE 1.02 AND 0.94 RESPECTIVELY
REFCODE: TCQMHP
Authors/Journal
421, 1973
Chemical
Name: 7,7,8,8-Tetracyanoquinodimethane N,N'-dimethyldihydrophenazine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information: precession data
CCDC Notes:
REFCODE: TCQMHP01
Authors/Journal
421, 1973
Chemical
Name: 7,7,8,8-Tetracyanoquinodimethane N,N'-dimethyldihydrophenazine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information: diffractometer data
CCDC Notes:
REFCODE: TCQNAP
Authors/Journal
Authors: B.Shaanan, U.Shmueli, D.Rabinovich
2574, 1976
Chemical
Name: 7,7,8,8-Tetracyanoquinodimethane-naphthalene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TCQPDA
Authors/Journal
Authors: A.W.Hanson
768, 1968
Chemical
N,N,N',N'-tetramethylbenzene-1,4-diamine
Synonym: bis(7,7,8,8-Tetracyanoquinodimethane)-N,N,N',N'-tetramethyl-p-
phenylenediamine
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TCQPEN10
Authors/Journal
440, 1973
Chemical
Name: 7,7,8,8-Tetracyanoquinodimethane-phenazine
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.1
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TCQPER
Authors/Journal
Authors: A.W.Hanson
2339, 1978
Chemical
Name: Perylene-7,7,8,8-tetracyanoquinodimethane complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TCQPER01
Authors/Journal
Authors: Peng Hu, Lin Ma, Ke Jie Tan, Hui Jiang, Fengxia Wei, Chuhuan
Yu, K.P.Goetz, O.D.Jurchescu, L.E.McNeil, G.G.Gurzadyan, C.Kloc
Chemical
tris(perylene)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEBKIU
Authors/Journal
Authors: H.Bock, Z.Havlas, A.Rauschenbach, C.Nather, M.Kleine
Chemical
Formula: C14 H22 S4,2(Br2)
Name: 1,2,4,5-tetrakis(Ethylthio)benzene bis(dibromine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.03
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TEBVOL
Authors/Journal
Authors: S.Kyushin, M.Ikarugi, K.Takatsuna, M.Goto, H.Matsumoto
Chemical
Formula: 2(C34 H54 Si2),C6 N4
Name: bis(Dibenzo(b,e)-7,7,8,8-tetraneopentyl-7,8-
disilabicyclo(2.2.2)octa-2,5-diene) tetracyanoethylene
Synonym:
Source:
Colour: dark green
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TECCAF
Authors/Journal
Authors: H.Goto, T.Fujinawa, H.Asahi, T.Inabe, H.Ogata, S.Miyajima,
Y.Muruyama
Chemical
Name: 1,6-Diaminopyrene p-chloranil
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TECCAF01
Authors/Journal
Y.Muruyama
Chemical
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TECCAF02
Authors/Journal
Y.Muruyama
Chemical
Synonym:
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 3.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TECSAV
Authors/Journal
Authors: H.-D.Becker, H.-C.Becker, V.Langer, J.Sieler
Chemical
Name: 2,7-Dinitro-9,10-anthraquinone anthracene
Synonym:
Source:
Melting Point:
Colour: dark purple
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TECSEZ
Authors/Journal
Authors: H.-D.Becker, H.-C.Becker, V.Langer, J.Sieler
Chemical
Name: bis(1,8-Dinitro-9,10-anthraquinone) anthracene
Synonym:
Source:
Melting Point:
Colour: dark violet
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: CSD 402031 is incorrect
REFCODE: TEDDIP
Authors/Journal
Authors: S.G.Il'in, N.K.Utkina, M.V.Veselova, Yu.T.Struchkov
1996
Chemical
Formula: C12 H5 Br5 O2,C13 H8 Br4 O3
Name: 2-(2',4'-Dibromophenoxy)-3,4,5-tribromophenol 2-(2'-hydroxy-
4',6'-dibromophenoxy)-4,6-dibromoanisole
Synonym:
Source: marine sponge Dysidea fragilis
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TEFDUD
Authors/Journal
Authors: B.Tashkhodzhaev, K.K.Turgunov, A.L.D'yakonov, G.A.Belova,
Kh.M.Shakhidoyatov
Chemical
Name: bis(2,3-Pentamethylene-3,4-dihydroquinazolin-4-one)
succinimide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TEFDUD01
Authors/Journal
Authors: R.E.Marsh
Chemical
Name: bis(2,3-Pentamethylene-3,4-dihydroquinazolin-4-one)
succinimide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TEFRIG
Authors/Journal
Authors: Qingdao Zeng, Dongxia Wu, Hongwei Ma, Chuying Shu, Yan Li,
Chen Wang
Chemical
Name: 4,4'-(1,3-Adamantanediyl)diphenol 1,2-bis(4-pyridyl)ethylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEFROM
Authors/Journal
Chen Wang
Chemical
Name: 4,4'-(1,3-Adamantanediyl)diphenol 4,4'-dipyridyl sulfide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEFRUS
Authors/Journal
Chen Wang
Chemical
Name: 4,4'-(1,3-Adamantanediyl)diphenol 4,4'-dipyridyl N,N'-dioxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.08
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEFSAZ
Authors/Journal
Chen Wang
Chemical
Name: 1,3-Adamantanedicarboxylic acid 1,2-bis(4-pyridyl)ethylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.64
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEFSED
Authors/Journal
Chen Wang
Chemical
Formula: 2(C12 H16 O4),C12 H12 N2
Name: bis(1,3-Adamantanedicarboxylic acid) 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEFSIH
Authors/Journal
Chen Wang
Chemical
Name: 1,3-Adamantanedicarboxylic acid 4,4'-dipyridyl disulfide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEFSON
Authors/Journal
Chen Wang
Chemical
Name: 1,3-Adamantanediacetic acid 1,2-bis(4-pyridyl)ethylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEHNAW
Authors/Journal
Authors: J.A.Bis, P.Vishweshwar, R.A.Middleton, M.J.Zaworotko
Chemical
Name: bis(4-Cyanopyridine) 4,4'-biphenol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.82
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEHNAW01
Authors/Journal
Authors: J.A.Bis, P.Vishweshwar, R.A.Middleton, M.J.Zaworotko
Chemical
Name: bis(4-Cyanopyridine) 4,4'-biphenol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEJGUK01
Authors/Journal
Authors: Qi Fang, Dong Xu, Wen-Tao Yu, Hong Lei, Jian Zuo, Yu-Rong Ma,
Qing-Shan Li
Journal: Huaxue Xuebao(Chin.)(Acta Chim.Sinica) , 55, 221, 1997
Chemical
Formula: C14 H13 N1 O1,C8 Cl2 N2 O2
Name: 9-Hydroxyethylcarbazole 2,3-dichloro-5,6-dicyano-1,4-
benzoquinone
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TEJNEC
Authors/Journal
Authors: Chun-Xia Wei, Jian-Xin Chen, Zhong-Shui Li, Ting-Yan Lan,
Yuan-Biao Huang
Chemical
Name: Diphenylcarbonohydrazide phenylsemicarbazide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEJYEN
Authors/Journal
Chen Wang
Chemical
Name: 1,3-Adamantanediacetic acid 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.61
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEKKID
Authors/Journal
Authors: P.I.Coupar, G.Ferguson, C.Glidewell
Chemical
Name: 4,4'-Bipyridyl 4,4'-dihydroxybenzophenone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.06
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TEKKOJ
Authors/Journal
Chemical
Formula: 3(C10 H8 N2),2(C6 H6 O3)
Name: tris(4,4'-Bipyridyl) bis(1,3,5-trihydroxybenzene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.69
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TELBUJ
Authors/Journal
Authors: J.C.Espinosa-Lara, D.Guzman-Villanueva, J.I.Arenas-Garcia,
D.Herrera-Ruiz, J.Rivera-Islas, P.Roman-Bravo, H.Morales-Rojas, H.Hopfl
Chemical
Name: Praziquantel fumaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [TELCIY]; Praziquantel is a potent
anthelmintic drug
Experimental
R-Factor (%): 11.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TELCAQ
Authors/Journal
Chemical
Name: bis(Praziquantel) adipic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: Praziquantel is a potent anthelmintic drug
Experimental
R-Factor (%): 4.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TELCOE
Authors/Journal
Chemical
Name: Praziquantel oxalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.35
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TELDAR
Authors/Journal
Chemical
Name: Praziquantel succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TELDIZ
Authors/Journal
Chemical
Name: Praziquantel glutaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 5.42
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEMDEU
Authors/Journal
Authors: R.Anulewicz, D.Maciejewska
Chemical
Name: 4-(p-Methoxyphenylazo)-2-methylimidazole 5-(p-
methoxyphenylazo)-2-methylimidazole
Synonym:
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 9.31
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TENKIG
Authors/Journal
Authors: Y.Aoyama, K.Endo, T.Anzai, Y.Yamaguchi, T.Sawaki, K.Kobayashi,
N.Kanehisa, H.Hashimoto, Y.Kai, H.Masuda
Chemical
Name: 9,10-bis(3,5-Dihydroxyphenyl)anthracene 9,10-bis(pyrimidine-5-
yl)anthracene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TENKUS
Authors/Journal
Chemical
Name: 9,10-bis(3,5-Dihydroxyphenyl)anthracene bis(1,4-benzoquinone)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TENLAZ
Authors/Journal
Chemical
Name: 9,10-bis(3,5-Dihydroxyphenyl)anthracene bis(9,10-
anthraquinone)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 8.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TENSIQ
Authors/Journal
Authors: Xian-Ping Dai, Gui-Ge Hou, Ju-Feng Sun, Dong Lin, Jing-Tian
Han
Chemical
Name: Isophthalic acid 5-(4-(1H-imidazol-1-yl)phenyl)pyrimidine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.25
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TENSOW
Authors/Journal
Authors: Xian-Ping Dai, Gui-Ge Hou, Ju-Feng Sun, Dong Lin, Jing-Tian
Han
Chemical
Name: Isophthalic acid 5-(pyridin-4-yl)pyrimidine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.24
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEPKEG
Authors/Journal
Authors: Baoming Ji, Weizhou Wang, Dongsheng Deng, Yu Zhang, Lei Cao,
Le Zhou, Chuansheng Ruan, Tiesheng Li
Chemical
Name: 1,2,4,5-tetrakis(4-Pyridyl)benzene bis(1,3,5-trifluoro-2,4,6-
tri-iodobenzene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.26
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEPKIK
Authors/Journal
Chemical
Name: 1,2,4,5-tetrakis(3-Pyridyl)benzene bis(1,3,5-trifluoro-2,4,6-
tri-iodobenzene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.68
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEPKOQ
Authors/Journal
Chemical
Name: 1,2,4,5-tetrakis(3-Pyridyl)benzene 1,3-di-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.36
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEPLAD
Authors/Journal
Chemical
Name: 4,4',6,6'-Tetramethyl-2,2'-bipyridine 1,3-bis(iodo)-
tetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.71
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TESBRP
Authors/Journal
Authors: A.Cooper, G.Kartha, E.M.Gopalakrishna, D.A.Norton
2409, 1969
Chemical
Name: Testosterone-p-bromophenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 16.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TETXUL
Authors/Journal
Authors: Y.Le Fur, M.Bagieu-Beucher, R.Masse, J.-F.Nicoud, J.-P.Levy
Chemical
Name: 2-Amino-5-nitropyridine chloroacetic acid
Synonym: PDB Chemical Component code: R3W
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TEWKOV
Authors/Journal
Authors: P.Bruni, G.Bocelli, A.Cantoni, E.Giorgini, M.Iacussi,
E.Maurelli, G.Tosi
Chemical
Formula: C32 H28 N4,C6 N4
Name: 1-Ethyl-2-phenyl-3-(1-ethyl-2-phenyl-3-azoindole)indole
tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TEWKUB
Authors/Journal
Authors: P.Bruni, G.Bocelli, A.Cantoni, E.Giorgini, M.Iacussi,
E.Maurelli, G.Tosi
Chemical
Name: 1,2-Diphenyl-3-(1,2-diphenyl-3-azoindole)indole
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TEXPOB
Authors/Journal
Chemical
Name: Pyrene 2,3,5,6-tetracyanohydroquinone
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 3.78
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TEXPOB10
Authors/Journal
Chemical
Name: Pyrene 2,3,5,6-tetracyanohydroquinone
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 3.78
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TEXVAW
Authors/Journal
Authors: J.C.Gamekkanda, A.S.Sinha, J.Desper, M.akovic, C.B.Aakeroy
Chemical
Formula: C10 H10 I2 O2,C10 H8 N2
Name: 1,4-bis(iodoethynyl)cyclohexane-1,4-diol 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information: for stereoisomer see [TEXTIC]
Experimental
R-Factor (%): 5.64
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEXVEA
Authors/Journal
Authors: J.C.Gamekkanda, A.S.Sinha, J.Desper, M.akovic, C.B.Aakeroy
Chemical
Name: 1,4-diethynylcyclohexane-1,4-diol 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.18
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEZGIR
Authors/Journal
Authors: S.Aitipamula, J.Cadden, Pui Shan Chow
Chemical
Name: 1-(1,2-benzoxazol-3-yl)methanesulfonamide 1,3,7-trimethyl-3,7-
Synonym: Zonisamide caffeine
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.04
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEZMUI
Authors/Journal
Authors: A.Delori, E.Suresh, V.R.Pedireddi
Chemical
Name: 2,4-Diamino-6-phenyl-1,3,5-triazine benzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.69
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEZNET01
Authors/Journal
Chemical
Name: isophthalic acid 6-phenyl-1,3,5-triazine-2,4-diamine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEZNIX
Authors/Journal
Chemical
Name: bis(2,4-Diamino-6-phenyl-1,3,5-triazine) 1,4-phenylenediacetic
acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.85
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TEZNOD
Authors/Journal
Chemical
Name: bis(2,4-Diamino-6-phenyl-1,3,5-triazine) 1,3-phenylenediacetic
acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.42
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: THLCTC
Authors/Journal
Authors: M.Konno, Y.Saito, K.Yamada, H.Kawazura
1680, 1980
Chemical
Name: Thieno(3,2-e:4,5-e')-bis(benzo(b)thiophene)-7,7,8,8-
Synonym: Trithia(5)heterohelicene-7,7,8,8-tetracyanoquinodimethane
Source:
Melting Point:
Colour: greenish-black
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: THOPBA
Authors/Journal
Authors: S.Nakao, S.Fujii, T.Sakaki, K.Tomita
1373, 1977
Chemical
Name: bis(Theophylline) phenobarbital
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: COORDINATES FOR C6 IN PHENOBARBITAL ARE ABSENT IN TABLE. BONDS
ARE N1'- C6' 1.361, C5' C6' 1.516
REFCODE: THSELI01
Authors/Journal
Authors: H.Hope, J.D.McCullough
Chemical
Formula: C4 H8 Se1,I2
Name: Tetrahydroselenophene iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: THYBNZ10
Authors/Journal
Authors: T.Sakurai, M.Okunuki
1445, 1971
Chemical
Name: Thymine-p-benzoquinone complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TIBDOA
Authors/Journal
Authors: Chenglong Li, Yuming Liu, Zhe Sun, Jinyun Zhang, Meiyan Liu,
Chen Zhang, Qian Zhang, Hongjuan Wang, Xuguang Liu
Chemical
Formula: C28 H29 B2 N3,2(C18 H23 B1 O1)
Name: 3,9-bis(2,4,6-trimethylphenyl)-3,4,8,9-tetrahydro-4,8,9b-
triaza-3,9-diboracyclopenta[cd]phenalene bis(bis(2,4,6-trimethylphenyl)borinic
acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIBVUW
Authors/Journal
Authors: Yi-Jian Zhang, Shu Zhan, Wen-Jie Feng, Mei-Chao Li, Zhi-Min
Jin
Chemical
Formula: C18 H14 O8,2(C6 H18 N3 O1 P1)
Name: (-)-(2R,3R)-O,O'-Dibenzoyl-(2R,3R)-tartaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.51
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TIBZIO
Authors/Journal
Authors: R.Moreno-Fuquen, J.Valderrama-N, A.R.Kennedy
Chemical
Name: 4-Picoline N-oxide hydroquinone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes: The melting point is given as 395 K in the cif and as 372 K in
the paper
REFCODE: TICFOA
Authors/Journal
Chemical
Name: 4,4'-Thiodiphenol piperazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.43
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TICKEV
Authors/Journal
Authors: K.Panneerselvam, M.Soriano-Garcia, A.Reyes-Arellano,
J.Tamariz-Mascarua, R.I.Mendoza-Sanchez
Chemical
Name: N,N'-bis-(4-Methoxybenzylidene)ethylendiamine hydroquinone
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TICWIM
Authors/Journal
Authors: E.Tretyakov, S.Fokin, G.Romanenko, V.Ikorskii, V.Ovcharenko
Chemical
Formula: C16 H44 K2 N4,2(C7 H12 N2 O3)
Name: bis((mu!2$-t-Butylamino)-(t-butylamino))-di-potassium bis(3-
oxyl-4,4,5,5-tetramethyl-2-oxoimidazolin-1-olate)
Synonym:
Source:
Melting Point:
Colour: navy blue
Extra Information: magnetic properties
Experimental
R-Factor (%): 4.23
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIDFER
Authors/Journal
Authors: H.Koshima, Kuiling Ding, Y.Chisaka, T.Matsuura
Chemical
Name: (-)-(M)-Acridine diphenylacetic acid
Synonym: (-)-Acridine diphenylacetic acid; Diphenylacetic acid acridine
Source:
Colour: yellow
Experimental
R-Factor (%): 4.3
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: absolute configuration; at 293.2 K
CCDC Notes:
REFCODE: TIDFUH
Authors/Journal
Authors: H.Koshima, Kuiling Ding, Y.Chisaka, T.Matsuura
Chemical
Name: Acridine 2,2-diphenylpropanoic acid
Synonym:
Source:
Colour: dark yellow
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TIGNUT
Authors/Journal
Authors: Tian-Jia Bu, Bao Li, Li-Xin Wu
Chemical
Name: (E)-4-(4-Methylstyryl)pyridine (E)-but-2-enedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.22
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIHMOO
Authors/Journal
Authors: K.N.Sedenkova, E.B.Averina, Y.K.Grishin, A.G.Kutateladze,
V.B.Rybakov, T.S.Kuznetsova, N.S.Zefirov
Chemical
Name: 2,4,6-Trinitrophenol 4-fluoro-2-methyl-5,6,7,8-
tetrahydroquinazoline 1-oxide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIHPAC
Authors/Journal
Authors: Zhe Wang, Qiang Yin, Ru-Yi Zou, Ru-Ji Wang, Yu-Fen Zhao
Chemical
Name: bis(1-Naphthaleneacetic acid) piperidine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.4
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIHSAH
Authors/Journal
Authors: Trishna Rajbongshi, K.K.Sarmah, A.Sarkar, R.Ganduri,
S.Cherukuvada, T.S.Thakur, R.Thakuria
Chemical
Name: 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid pyrazine-2-
carboxamide
Synonym: pyrazinamide sinapic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.56
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIJXOB
Authors/Journal
Authors: D.Dobrzynska, J.Kubiak, Jan Janczak, J.Zon
Chemical
Formula: C16 H24 Ca1 O14 P2,C10 H8 N2
Name: tetraaqua-bis(hydrogen (3-carboxybenzyl)phosphonato)-calcium
4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.95
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIKNUX
Authors/Journal
Authors: M.Rafilovich, J.Bernstein, M.B.Hickey, M.Tauber
Chemical
Name: bis(Benzidine) 1,4-benzoquinone
Synonym:
Source:
Melting Point:
Colour: blue purple
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIKPEJ
Authors/Journal
Authors: M.Rafilovich, J.Bernstein, M.B.Hickey, M.Tauber
Chemical
Formula: C12 H12 N2,C18 H15 O1 P1
Name: Benzidine triphenylphosphine oxide
Synonym:
Source:
Colour: light brown
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TILLUX
Authors/Journal
Authors: Rui Zhang, Qin Xu, Kai Chen, Peng Gu, Min Shi
Chemical
Formula: C11 H10 O2,C6 H7 B1 O2
Name: 5-methyl-4-phenylfuran-2(5H)-one phenylboronic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TILXUK
Authors/Journal
Authors: Yang-Hui Luo, Xiao-Tong He, Dan-Li Hong, Chen Chen, Fang-Hui
Chen, Jia Jiao, Li-Hai Zhai, Li-Hong Guo, Bai-Wang Sun
Journal: Adv.Funct.Mater. , , 1804822, 2018
Chemical
Name: 4,4',4'',4'''-(porphyrin-5,10,15,20-tetrayl)tetrabenzoic acid
4,4'-(propane-1,3-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: We calculate void space in the structure
REFCODE: TIPWIY
Authors/Journal
Authors: V.Videnova-Adrabinska
Chemical
Name: bis(Urea) E-butenedioic acid
Synonym: bis(Urea) fumaric acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TIPWIY01
Authors/Journal
Chemical
Name: bis(Urea) E-butenedioic acid
Synonym: bis(Urea) fumaric acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TIPWIY08
Authors/Journal
Chemical
Name: bis(Urea) fumaric acid
Synonym: bis(urea) but-2-enedioic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.77
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TITACE10
Authors/Journal
Authors: V.Cody, J.Hazel, D.A.Langs, W.L.Duax
Chemical
Formula: C14 H8 I4 O4,C4 H11 N1 O2
Name: 3,3',5,5'-Tetraiodo-thyroacetic acid N-diethanolamine
Synonym: PDB Chemical Component code: T4A
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.8
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TITDAE
Authors/Journal
Authors: C.J.Snyder, L.A.Wells, D.E.Chavez, G.H.Imler, D.A.Parrish
Chemical
Name: 6-(4H,8H-bis[1,2,5]oxadiazolo[3,4-b:3',4'-e]pyrazin-4-yl)-2,4-
dioxo-1,2,4,5-tetrazin-3-amine oxolan-2-one
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.21
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TITDEG
Authors/Journal
Authors: P.Arsenyan, K.Oberte, S.Belyakov
2007
Chemical
Formula: C6 H8 N2 O2 Se1,C6 H7 B1 O2
Name: 4-Methyl-5-ethoxycarbonyl-1,2,3-selenadiazole phenylboronic
acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.41
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIVCOS
Authors/Journal
Chemical
Name: 2,5-Difluoro-3,6-dihydroxy-1,4-benzoquinone 2,3-bis(pyridin-2-
yl)pyrazine
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIVJUF
Authors/Journal
Authors: Yuping Wang, Zongwei Yang, Hongzhen Li, Xiaoqing Zhou, Qi
Zhang, Jianhua Wang, Yucun Liu
Journal: Propellants,Explos.,Pyrotech. , 38, 1587, 2014
Chemical
Name: 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-
hexaazatetracyclo[5.5.0.0$3,11!.0$5,9!]dodecane 1,3-dinitrobenzene
Synonym: 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane 1,3-dinitrobenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIWPIB
Authors/Journal
Authors: A.Kozak, P.H.Marek, E.Pindelska
Chemical
Name: 2-ethoxybenzamide pentanedioic acid
Synonym: ethenzamide glutaric acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIWPOH
Authors/Journal
Authors: A.Kozak, P.H.Marek, E.Pindelska
Chemical
Name: 2-ethoxybenzamide (2Z)-but-2-enedioic acid
Synonym: ethenzamide maleic acid
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIWZAA
Authors/Journal
Authors: K.Yamada, E.Oguma, H.Nakagawa, H.Kawazura, H.Miyamae
Chemical
Name: Thieno(3,2-e:4,5-e')bis(1)benzothiophene 3,5-dinitrobenzoic
acid
Synonym: Trithia(5)heterohelicene 3,5-dinitrobenzoic acid
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 7.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TIXLAO
Authors/Journal
Authors: R.Sarma, A.Karmakar, J.B.Baruah
Chemical
Name: Quinoline-N-oxide 4-methylbenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.43
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TIZVOO
Authors/Journal
Authors: A.A.Yartseva, L.Sh.Koldrov, S.S.Galibeev, V.P.Arkhireev,
N.I.Naumkina, I.A.Litvinov, A.T.Gubaidullin
Chemical
Formula: C21 H12 Cl3 N3 O3,2(C6 H10 O2)
Name: 1,3,5-tris(3-Chlorophenyl) isocyanurate bis(epsilon-
caprolactone)
Synonym: PDB Chemical Component code: ECE
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TMABCA
Authors/Journal
Authors: J.L.de Boer, A.Vos
720, 1968
Chemical
Name: 2,3,5,6-tetrachloro-1,4-benzoquinone N,N,N',N'-
tetramethylbenzene-1,4-diamine
Synonym: N,N,N',N'-Tetramethyl-p-diaminobenzene chloranil
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TMBCAN
Authors/Journal
1710, 1971
Chemical
Formula: 2(C16 H20 N2),C6 Cl4 O2
Name: N,N,N',N'-Tetramethylbenzidine-chloroanil complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.1
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TMFBRQ10
Authors/Journal
Authors: J.J.Mayerle, J.B.Torrance
2030, 1981
Chemical
Name: Tetramethyltetrathiafulvalene 2,3,5,6-tetrabromo-p-
benzoquinone
Synonym: Tetramethyltetrathiafulvalene bromanil
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TMUBZP10
Authors/Journal
Authors: A.Damiani, E.Giglio, A.M.Liquori, A.Ripamonti
Chemical
Name: 1,3,7,9-Tetramethyluric acid-3,4-benzpyrene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes: Z-COORDINATE OF C5 OF SECOND TETRAMETHYLURIC ACID RESIDUE
SHOULD BE 0.0604 NOT -0.0604
REFCODE: TMXSTQ10
Authors/Journal
Authors: D.Zobel, G.Ruban
Chemical
Name: 2,2',5,5'-Tetramethoxystilbene 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x coordinate of C11 should be 0.3121, not 0.32131
REFCODE: TNFLMB
Authors/Journal
Authors: J.N.Brown, L.D.Cheung, L.M.Trefonas, R.J.Majeste
Journal: J.Cryst.Mol.Struct. , 4, 361, 1974
Chemical
Name: 2,4,7-Trinitrofluorenone-hexamethylbenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: X-COORD. OF O1 GIVEN AS .4091 SHOULD BE .2491. Y-COORD. OF O2
GIVEN AS .2624 SHOULD BE .2604. Z-COORD. OF C12 GIVEN AS -.3068 SHOULD -.0068
REFCODE: TOBSOU
Authors/Journal
Authors: S.Fisher, E.W.Reinheimer
Chemical
Name: Benzene-1,2,4,5-tetracarbonitrile 2-(1,3-dithiol-2-ylidene)-
4,5-dimethyl-1,3-dithiole
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOHZIC
Authors/Journal
Authors: Zhijie Zhang, Duanxiu Li, Chun Luo, Chunxiang Huang, Ruchen
Qiu, Zongwu Deng, Hailu Zhang
Chemical
Name: (trimethylazaniumyl)acetate 5,6,7-trihydroxy-2-phenyl-4H-1-
benzopyran-4-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOHZUO
Authors/Journal
Authors: Zhijie Zhang, Duanxiu Li, Chun Luo, Chunxiang Huang, Ruchen
Qiu, Zongwu Deng, Hailu Zhang
Chemical
Name: (trimethylazaniumyl)acetate 2-(3,4-dihydroxyphenyl)-3,5,7-
trihydroxy-4H-1-benzopyran-4-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOJSOD
Authors/Journal
Authors: CheongCheon Lee, A.Young Cho, Woojin Yoon, Hoseop Yun, Jeong
Won Kang, Jonghwi Lee
Chemical
Name: 5H-dibenzo[b,f]azepine-5-carboxamide 5,7-dihydroxy-2-(4-
hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.24
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOJXAT
Authors/Journal
Authors: Hui Wang, Ruo Xin Hu, Xue Pang, Hai Yue Gao, Wei Jun Jin
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene benzo[f]quinoline
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOJXEX
Authors/Journal
Chemical
Formula: C13 H9 N1,1.5(C6 F4 I2)
Name: sesquikis(1,2,4,5-tetrafluoro-3,6-diiodobenzene)
benzo[h]quinoline
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.51
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOKFEG
Authors/Journal
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene bis(phenanthridine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.13
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOKJUY
Authors/Journal
Authors: J.Larsen, A.Dolbecq, K.Bechgaard
Chemical
Name: 5,8,11,14-Tetrathia(9)helicene 7,7',8,8'-
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Requested suplementary data not received
REFCODE: TOKTIW
Authors/Journal
Authors: Liu Yong, Xue Guo-Ping, Wu Cheng-Tai, Luo Bao-Sheng, Chen
Liao-Rong
Chemical
Formula: C5 H12 N2 O1,2(H1 Br1)
Name: 3-Hydroxy-1,5-diazacycloheptane bis(hydrogenbromide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x(C1) is 1.084 not 1.804
REFCODE: TOKWUM
Authors/Journal
Authors: T.Murata, G.Honda, Chin-Hong Chong, M.Makihara, K.Nishimura,
S.Khasanov, A.Otsuka, G.Saito
Chemical
Name: 2-(4-(1-Cyano-2-(1-hexyl-3,3-dimethyl-3H-indol-2-
yl)ethenyl)phenyl)propanedinitrile 7,7',8,8'-tetracyanoquinodimethane
Synonym:
Source:
Colour: red-purple
Extra Information:
Experimental
R-Factor (%): 8.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOLXUQ
Authors/Journal
Authors: N.Castagnetti, M.Masino, C.Rizzoli, A.Girlando, C.Rovira
Journal: Phys. Rev. Mater. , 2, 24602, 2018
Chemical
Formula: C16 H20 N2,C6 F4 O2
Name: 2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-dione 3,3',5,5'-
tetramethyl[1,1'-biphenyl]-4,4'-diamine
Synonym: 3,3',5,5'-tetramethylbenzidine fluoranil
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 13.97
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOLYAX
Authors/Journal
Chemical
Name: 2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione 3,3',5,5'-
Synonym: 3,3',5,5'-tetramethylbenzidine chloranil
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.09
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOLYEB
Authors/Journal
Chemical
Name: 2,3,5,6-tetrabromocyclohexa-2,5-diene-1,4-dione 3,3',5,5'-
Synonym: 3,3',5,5'-tetramethylbenzidine bromanil
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.14
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOLYOL
Authors/Journal
Chemical
Formula: C16 H20 N2,C12 F4 N4
diylidene)dipropanedinitrile 3,3',5,5'-tetramethyl[1,1'-biphenyl]-4,4'-diamine
Synonym: 3,3',5,5'-tetramethylbenzidine
Source:
Melting Point:
Colour: bronze
Extra Information:
Experimental
R-Factor (%): 4.52
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOMVID
Authors/Journal
Authors: Z.Akbari, Z.R.Ranjbar, S.Yousef Ebrahimipour, H.A.Rudbari,
S.Lotfi
Journal: Main Group Chem. , 18, 89, 2019
Chemical
Name: oxalic acid 3,3'-[hydrazinediylidenebis(eth-1-yl-1-
ylidene)]dipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOMVOJ
Authors/Journal
Authors: Z.Akbari, Z.R.Ranjbar, S.Yousef Ebrahimipour, H.A.Rudbari,
S.Lotfi
Journal: Main Group Chem. , 18, 89, 2019
Chemical
Name: succinic acid 3,3'-(hydrazine-1,2-diylidenedieth-1-yl-1-
ylidene)dipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOMWOJ
Authors/Journal
Chemical
Name: pyridine-2-carboxamide glutaric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TONDUV
Authors/Journal
Authors: V.A.Nadtochenko, V.V.Gritsenko, O.A.Dyachenko, G.V.Shilov,
A.P.Moravsky
1996
Chemical
Formula: C60,C10 H16 N2
Name: C60fullerene N,N,N',N'-tetramethyl-p-phenylenediamine
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 8.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TONGIM
Authors/Journal
Authors: M.Gdaniec, F.Saczewski, T.Debowski
Chemical
Name: N-(4,5-Dihydro-1H-imidazol-2-yl)-N-phenylhydroxylamine
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TONGOS
Authors/Journal
Authors: V.Videnova-Adrabinska, M.C.Etter
Chemical
Name: bis(Urea) glutaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TOPPNP
Authors/Journal
Authors: K.Aoki, T.Ichikawa, Y.Koinuma, Y.Iitaka
2333, 1978
Chemical
Name: Theophylline p-nitrophenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.5
Temperature: 295
Intensity Meas: 2
Disorder:
Extra Information:
CCDC Notes: H7 deleted for suspected coordinate errors
REFCODE: TORSEM02
Authors/Journal
Authors: L.Dupont, G.Dive
Journal: Bull.Soc.R.Sci.Liege , 51, 248, 1982
Chemical
Name: 1-Isopropyl-3-(4-m-methylphenylamino-pyrid-3-yl-sulfonyl)-urea
Synonym: Torasemide; Demadex; Diuver; Examide; Luprac; DrugBank:
DB00214
Source:
Melting Point:
Colour:
Extra Information: diuretic activity and antiinflammatory agent
Experimental
R-Factor (%): 7.36
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TORSEM05
Authors/Journal
Authors: K.Mereiter
Chemical
Name: 1-Isopropyl-3-(4-m-methylphenylaminopyridin-3-ylsulfonyl)urea
Synonym: Torasemide; Demadex; Diuver; Examide; Luprac; DrugBank:
DB00214
Source:
Melting Point:
Colour: colorless
Extra Information: diuretic activity, antiinflammatory agent
Experimental
R-Factor (%): 3.7
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TORTAY
Authors/Journal
Authors: H.A.Patel, V.J.Bhanvadia, H.M.Mande, S.S.Zade, A.L.Patel
Chemical
Name: benzene-1,4-dicarboxylic acid 4,7-bis[2-(pyridin-4-
yl)ethenyl]-2,1,3-benzothiadiazole
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 7.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOSTEC
Authors/Journal
Authors: chen pengyuan
Chemical
Formula: C6 Cl3 N3 O6,C4 H8 O2
Name: 1,3,5-trichloro-2,4,6-trinitrobenzene 1,4-dioxane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOSTIG
Authors/Journal
Chemical
Formula: C6 Cl3 N3 O6,C8 H10
Name: 1,3,5-trichloro-2,4,6-trinitrobenzene p-xylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOSTOM
Authors/Journal
Chemical
Name: 1,3,5-trichloro-2,4,6-trinitrobenzene mesitylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOSTUS
Authors/Journal
Chemical
Formula: C6 Br3 N3 O6,2(C4 H8 O2)
Name: 1,3,5-tribromo-2,4,6-trinitrobenzene 1,4-dioxane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.14
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TOZMUS
Authors/Journal
Authors: Dong Hong, Yan Li, Shunguan Zhu, Lin Zhang, Congcong Pang
Journal: Central European Journal of Energetic Materials , 2, 47, 2015
Chemical
Name: 2-Methyl-1,3,5-trinitrobenzene 1-nitronaphthalene
Synonym:
Source:
Extra Information:
Experimental
R-Factor (%): 5.27
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TPDTCB
Authors/Journal
Authors: Y.Ohashi, H.Iwasaki, Y.Saito
Chemical
Name: N,N,N',N'-Tetramethyl-p-phenylenediamine-1,2,4,5-
tetracyanobenzene complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 15.9
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TPDTCB01
Authors/Journal
Authors: P.S.Ghalsasi, B.Cage, J.L.Yarger
Chemical
Name: N,N,N',N'-Tetramethyl-1,4-benzenediamine 1,2,4,5-
benzenetetracarbonitrile
Synonym: N,N,N',N'-Tetramethyl-p-phenylenediamine 1,2,4,5-
tetracyanobenzene
Source:
Melting Point:
Colour: dark brown or dark brown-black
Extra Information: magnetic properties
Experimental
R-Factor (%): 4.09
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TPHPSI10
Authors/Journal
Authors: J.W.Bransford, E.A.Meyers
Chemical
Formula: 2(C18 H15 I2 P1 S1),I2
Name: bis(S-Iodine-triphenylphosphinesulfide) iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TPHPSI11
Authors/Journal
Authors: M.B.Hursthouse, S.J.Coles, N.Bricklebank
Chemical
Name: bis(S-Di-iodo-triphenylphosphine sulfide) di-iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TPHPSI12
Authors/Journal
Authors: W.W.Schweikert, E.A.Meyers
Chemical
Name: bis(S-di-iodo-triphenylphosphine sulfide) di-iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TPOTCA
Authors/Journal
Authors: L.Golic, V.Kaucic
Chemical
Name: Triphenylphosphine oxide-trichloroacetic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TPOXHF
Authors/Journal
Authors: D.Thierbach, F.Huber
Chemical
Formula: C18 H15 O1 P1,H1 F1
Name: Triphenylphosphine-oxide hydrogen fluoride
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TPOXLC
Authors/Journal
Authors: D.Thierbach, F.Huber
Chemical
Formula: 2(C18 H15 O1 P1),C2 H2 O4
Name: bis(Triphenylphosphine-oxide) oxalic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Published fw 622.60, we calculate 646.62
REFCODE: TPPOSE
Authors/Journal
Authors: Y.Hermodsson
Journal: Ark.Kemi , 30, 15, 1969
Chemical
Formula: C18 H15 O1 P1,Cl2 O1 Se1
Name: Triphenylphosphine oxide-seleninyl dichloride complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.7
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TPYMAN
Authors/Journal
Authors: I.V.Bulgarovskaya, E.M.Smelyanskaya, Yu.G.Fedorov,
Z.V.Zvonkova
Chemical
Formula: C10 H2 O4 S2,C14 H10
Name: Anthracene-pyromellitic dithioanhydride complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 19.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: X-COORD OF H1 GIVEN AS .114 IN TAB 1 SHOULD BE .714
REFCODE: TTFCAN
Authors/Journal
Authors: J.J.Mayerle, J.B.Torrance, J.I.Crowley
2988, 1979
Chemical
Formula: C6 H4 S4,C6 Cl4 O2
Name: Tetrathiafulvalene chloranil
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TTFFAN
Authors/Journal
Authors: J.J.Mayerle, J.B.Torrance, J.I.Crowley
2988, 1979
Chemical
Formula: C6 H4 S4,C6 F4 O2
Name: Tetrathiafulvalene fluoranil complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TUBFII
Authors/Journal
Authors: M.R.Arabiani, Bal Raju K, Surojit Bhunia, P.K.Teja,
A.Lodagekar, R.B.Chavan, N.R.Shastri, C.Malla Reddy, P.Shelat, Divyang Dave
Chemical
Name: 7-{4-[4-(1-benzothiophen-4-yl)piperazin-1-yl]butoxy}quinolin-
2(1H)-one benzene-1,2-diol
Synonym: Brexpiprazole Catechol
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUBVOB
Authors/Journal
Authors: F.Toda, H.Miyamoto, S.Kikuchi, R.Kuroda, F.Nagami
Chemical
Formula: C33 H32 O4,C13 H13 Br1 O1 S1
Name: (R,R)-(-)-trans-2,3-bis(Hydroxydiphenylmethyl)-1,4-
dioxaspiro(4.4)nonane 2-(o-bromophenylthio)-3-methylcyclohexen-1-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TUHMIS
Authors/Journal
Authors: N.G.Anderson, D.A.Lust, K.A.Colapret, J.H.Simpson, M.F.Malley,
J.Z.Gougoutas
Chemical
Name: Triphenylphosphine oxide di-isopropyl hydrazinedicarboxylate
Synonym:
Source:
Colour: off white
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TUHMIS01
Authors/Journal
Authors: A.Heroux, F.Brisse
Chemical
Name: Triphenylphosphine oxide di-isopropyl hydrazocarboxylate
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TUHQUL
Authors/Journal
Nongyue He
Chemical
Name: bis(9-(4-methylphenyl)-9H-carbazole) benzene-1,2,4,5-
tetracarbonitrile
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUHRAS
Authors/Journal
Nongyue He
Chemical
Name: bis(4-(9H-carbazol-9-yl)benzaldehyde) benzene-1,2,4,5-
tetracarbonitrile
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 7.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUJKUE
Authors/Journal
Authors: S.Friederichs, J.Kudnig, G.Klar
Chemical
Formula: C16 H16 O4 S2,C12 F4 N4
Name: 2,3,7,8-Tetramethoxy-5,10-dithianthrene 7,7,8,8-tetracyano-
2,3,5,6-tetrafluoroquinodimethane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.15
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TUJLAL
Authors/Journal
Chemical
Formula: C16 H16 O4 Se2,C12 F4 N4
Name: 2,3,7,8-Tetramethoxy-5,10-diselenanthrene 7,7,8,8-tetracyano-
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.52
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TUJLEP
Authors/Journal
Chemical
Name: 2,3,7,8-Tetraethoxy-5,10-dithianthrene 7,7,8,8-tetracyano-
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.29
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: TUKBIL
Authors/Journal
Authors: Z.Casar, I.Leban, A.Majcen-le Marechal, L.Piekara-Sady,
D.Lorcy
Chemical
Name: Tetracyanoquinodimethane 2,2'-hydrazine-1,2-diylidenebis(3-
methyl-2,3-dihydro-1,3-benzoselenazole)
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 3.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUKFUB
Authors/Journal
Authors: A.Dey, P.Metrangolo, T.Pilati, G.Resnati, G.Terraneo,
I.Wlassics
Chemical
Name: N,N,N',N'-Tetramethylbenzene-1,4-diamine
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane
Synonym: N,N,N',N'-tetramethyl-p-phenylendiamine
1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUMCAI
Authors/Journal
Authors: P.Karuppasamy, T.Kamalesh, K.Anitha, Muthu Senthil Pandian,
P.Ramasamy, S.Verma
Chemical
Name: Quinoline 4-nitrophenol
Synonym:
Source:
Extra Information:
Experimental
R-Factor (%): 5.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUNMUN
Authors/Journal
Authors: S.P.Yelgaonkar, D.C.Swenson, L.R.MacGillivray
Chemical
Name: 7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid 4,4'-
(ethene-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: Photo-sensitive
Experimental
R-Factor (%): 6.04
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUPRBN01
Authors/Journal
Authors: H.-P.Weber, B.M.Craven
Chemical
Name: Parabanic acid thiourea
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Reports a space group which differs from that previously
reported. Published fw = 142.18; we calculate fw = 190.18. At 93K a = 10.874(4), b
= 6.152(5), c = 6.161(3) and beta = 114.39(3); at 213K a = 10.893(5), b = 6.229(6),
c = 6.160(3) and beta = 114.31(4)
REFCODE: TUPRBN10
Authors/Journal
Authors: P.M.Colman, E.H.Medlin
1553, 1970
Chemical
Name: Parabanic acid thiourea
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.7
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes: H2 (0.4834,0.2025,0.5831) not bonded to rest of structure :
atom removed from ATOM-list. Bond distance C(2)-C(3) should read, 1.584, not 1.548
REFCODE: TUPYOT
Authors/Journal
Authors: R.Moreno-Fuquen, J.Ellena, C.A.De Simone, L.Ribeiro, R.H.De
Almeida Santos
Chemical
Formula: C14 H10 O4 S2,0.5(C10 H8 N2 O2)
Name: 2-[(2-Carboxyphenyl)disulfanyl]benzoic acid hemikis(4,4'-
bipyridyl N,N'-dioxide)
Synonym: 2,2'-Disulfanediyldibenzoic acid hemikis(4,4'-bipyridine-1,1'-
diol)
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUQBIR
Authors/Journal
Authors: Jian-Feng Liu, Guo-Liang Zhao
Chemical
Name: 2-(4-Hydroxyphenyl)acetic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUTFIA
Authors/Journal
Authors: Jing Han, Na Ye, Xu Zhang, Zhong Yu, Jun Wang, Yongdi Zhang,
Yi Wan
Chemical
Name: 2,2'-(1,4-phenylene)diacetonitrile 2,2',3,3',5,5',6,6'-
octafluoro[1,1'-biphenyl]-4,4'-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.54
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUVLOO
Authors/Journal
Authors: V.Palanisamy, P.Sanphui, G.Bolla, A.Narayan, C.C.Seaton,
V.R.Vangala
Chemical
Formula: C8 H10 F1 N3 O3 S1,C7 H6 O2
Name: benzoic acid 4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-
oxathiolan-5-yl]pyrimidin-2(1H)-one
Synonym: Emtricitabine benzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.09
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUVLOO01
Authors/Journal
Authors: V.Palanisamy, P.Sanphui, G.Bolla, A.Narayan, C.C.Seaton,
V.R.Vangala
Chemical
Name: benzoic acid 4-amino-5-fluoro-1-[2-(hydroxymethyl)-1,3-
oxathiolan-5-yl]pyrimidin-2(1H)-one
Synonym: Emtricitabine benzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.68
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUWWEO
Authors/Journal
Authors: R.V.Alfonso, J.Durao, A.Mendes, A.M.Damas, L.Gales
Chemical
Formula: C6 H12 N2 O3,0.02(O2)
Name: L-Alanyl-L-alanine dioxide
Synonym: PEPSEQ A=2 ALA-ALA
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: TUZFEB
Authors/Journal
Authors: Lian-Dong Liu, Shu-Lian Liu, Zhi-Xian Liu, Gui-Ge Hou
Chemical
Name: 3,4,5-trihydroxybenzoic acid 1-methyl-3,5-bis(pyridin-4-
ylmethylene)piperidin-4-one
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.68
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UBOMAC
Authors/Journal
Authors: Fa-Gui He
Chemical
Formula: C86 H20 O2,C1 S2
Name: dibenzyl-bis(methoxy)C70fullerene carbon disulfide
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 8.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UBUBIC
Authors/Journal
Authors: R.G.Hicks, M.T.Lemaire, L.Ohrstrom, J.F.Richardson,
L.K.Thompson, Zhiqiang Xu
Chemical
Name: 1,5-Dimethyl-3-(2-pyridyl)-6-oxoverdazyl hydroquionone
Synonym:
Source:
Melting Point:
Colour: maroon
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: UBUFIJ
Authors/Journal
Authors: A.Thirunavukkarsu, T.Sujatha, P.R.Umarani, M.Nizam Mohideen,
A.Silambarasan, R.Mohan Kumar
Chemical
Name: pyridine-2-carboxylic acid 1H-benzotriazole
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UCAYEG
Authors/Journal
Authors: Chang Li, Di Wu, Jiulong Li, Xu Ji, Luguang Qi, Qin Sun, Aiyu
Wang, Chuang Xie, Junbo Gong, Wei Chen
Chemical
Name: 1-((2-chlorophenyl)(diphenyl)methyl)-1H-imidazole 3-
nitrobenzoic acid
Synonym: clotrimazole 3-nitrobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information: clotrimazole is an anti-fungal agent
Experimental
R-Factor (%): 6.74
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UCAYIK
Authors/Journal
Authors: Chang Li, Di Wu, Jiulong Li, Xu Ji, Luguang Qi, Qin Sun, Aiyu
Wang, Chuang Xie, Junbo Gong, Wei Chen
Chemical
Name: 1-[(2-chlorophenyl)(diphenyl)methyl]-1H-imidazole 1H-indole-6-
carboxylic acid
Synonym: clotrimazole indole-6-carboxylic acid
Source:
Melting Point:
Colour: colorless
Extra Information: clotrimazole is an anti-fungal agent
Experimental
R-Factor (%): 5.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UCEROM
Authors/Journal
Authors: Fa-Yuan Ge, Li-Hua Huo, Shu-Nan Zhao, Zhao-Peng Deng, Zhu-Yan
Zhang, Shan Gao
Chemical
Name: 4-(biphenyl-4-yl)-4-oxobutanoic acid pyrazin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.81
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UCERUS
Authors/Journal
Zhang, Shan Gao
Chemical
Name: bis(4-(biphenyl-4-yl)-4-oxobutanoic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.53
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UCESAZ
Authors/Journal
Zhang, Shan Gao
Chemical
Formula: 2(C16 H14 O3),C12 H10 N2
Name: bis(4-(biphenyl-4-yl)-4-oxobutanoic acid) 4,4'-ethene-1,2-
diyldipyridine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 6.56
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UCETOO
Authors/Journal
Zhang, Shan Gao
Chemical
Name: 4-(biphenyl-4-yl)-4-oxobutanoic acid pyridin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.7
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UCOTUC
Authors/Journal
Authors: D.Chakrabarty, H.Nagase, M.Kamijo, T.Endo, H.Ueda
Chemical
Name: Nicotinamide lauric acid
Synonym: 3-pyridinecarboxamide n-dodecanoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UDACOV
Authors/Journal
Authors: P.Yogheshwari, B.Sridhar, K.Anitha
Chemical
Name: bis(6-nitroquinoline) but-2-enedioic acid
Synonym: bis(6-nitroquinoline) fumaric acid
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UDEGOA
Authors/Journal
Authors: W.Lasocha, A.Rafalska-Lasocha
Chemical
Formula: C14 H18 N2,H1 I1
Name: 1.8-bis(Dimethylamino)naphthalene hydrogen iodide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 1.55
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: UDEQUP01
Authors/Journal
Authors: S.Horiuchi, Y.Okimoto, R.Kumai, Y.Tokura
Chemical
Formula: C8 H8 S4,C6 Cl4 O2
Name: 4,4'-Dimethyl-1,1',3,3'-tetrathiafulvalene 2,3,5,6-
tetrachloro-p-benzoquinone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: UDERIE02
Authors/Journal
Authors: S.Horiuchi, Y.Okimoto, R.Kumai, Y.Tokura
Chemical
Name: 4,4'-Dimethyl-1,1',3,3'-tetrathiafulvalene 2,3,5,6-tetrabromo-
p-benzoquinone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: UDUZOI01
Authors/Journal
Authors: Ruihu Wang, Feilong Jiang, Youfu Zhou, Lei Han, Maochun Hong
Chemical
Name: bis(4-Aminobenzoic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UFAXOQ
Authors/Journal
Authors: A.P.Marchand, W.H.Watson
Chemical
Name: 7,12-
bis(methoxycarbonyl)pentacyclo[9.2.1.1$4,7!.0$2,10!.0$3,8!]pentadeca-5,12-diene-8-
carboxylic acid 4-(methoxycarbonyl)tricyclo[5.2.1.0$2,6!]deca-3,8-diene-8-
carboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.03
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes: Three H atoms have been modelled on O2. We have suppress two
to give a neutral molecule
REFCODE: UFERED02
Authors/Journal
Authors: L.E.Connor, A.D.Vassileiou, G.W.Halbert, B.F.Johnston,
I.D.H.Oswald
Chemical
Formula: C19 H16 Cl1 N1 O4,C7 H5 N1 O3 S1
Name: [1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic
acid 1H-1,2-benzothiazole-1,1,3(2H)-trione
Synonym: indomethacin saccharin
Source:
Melting Point:
Colour: colorless
Extra Information: Recrystallised from a 1:1 molar ratio of indomethacin and
saccharin from ethyl acetate; Indomethacin is a non-steroidal anti-inflammatory
Experimental
R-Factor (%): 6.57
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UFERED03
Authors/Journal
I.D.H.Oswald
Chemical
Source:
Melting Point:
Colour: colorless
Extra Information: Recrystallisation of 1:1 molar ratio of indomethacin and
saccharin in ethyl acetate; Indomethacin is a non-steroidal anti-inflammatory
Experimental
R-Factor (%): 5.91
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UFERED04
Authors/Journal
I.D.H.Oswald
Chemical
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.39
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UFERED05
Authors/Journal
I.D.H.Oswald
Chemical
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.38
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UFERED06
Authors/Journal
I.D.H.Oswald
Chemical
Source:
Melting Point:
Colour: colorless
Extra Information: Recrystallised from 1:1 molar ratio of indomethacin and
saccharin in ethyl acetate; Indomethacin is a non-steroidal anti-inflammatory
Experimental
R-Factor (%): 6.51
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UFERED07
Authors/Journal
I.D.H.Oswald
Chemical
Source:
Melting Point:
Colour: colorless
Extra Information: Recrystallisation of 1:1 molar ration of indomethacin and
Experimental
R-Factor (%): 6.71
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UFETAA
Authors/Journal
Authors: Z.Dega-Szafran, M.Jaskolski, M.Szafran
Chemical
Name: 1-(Carboxymethyl)pyridinium phenylacetic acid
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UFETEE
Authors/Journal
Authors: Z.Dega-Szafran, A.Gzella, Z.Kosturkiewicz, M.Szafran,
A.Antkowiak
Chemical
Name: N-(Carboxymethyl)-N-methylmorpholinium phosphoric acid
Synonym:
Source:
Colour:
Extra Information: hygroscopic
Experimental
R-Factor (%): 4.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UGICAR
Authors/Journal
Authors: S.J.Kruse, E.Bosch, F.Brown, R.H.Groeneman
Chemical
Formula: C9 H9 N1 O2,C6 Cl4 I2
Name: (E)-methyl-3-(pyridine-4-yl)prop-2-enote 1,4-
diiodoperchlorobenzene
Synonym: methyl 3-(pyridin-4-yl)prop-2-enoate 1,2,4,5-tetrachloro-3,6-
diiodobenzene
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.93
Temperature: 302
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UGICEV
Authors/Journal
Authors: S.J.Kruse, E.Bosch, F.Brown, R.H.Groeneman
Chemical
Formula: 2(C9 H9 N1 O2),C6 Cl4 I2
Name: bis(methyl 3-(pyridin-3-yl)prop-2-enoate) 1,2,4,5-tetrachloro-
3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.26
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UGONIP
Authors/Journal
Authors: Xin-Ming Wang, Rui-Qing Fan, Liang-Sheng Qiang, Ping Wang, Yu-
Lin Yang, Yu-Lei Wang
Chemical
Name: 4,4'-carbonyldiphthalic acid 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UGOROZ
Authors/Journal
Authors: P.Yadav, P.Kr Dutta, A.Ballabh
Chemical
Name: octanedioic acid bis(1,3-thiazol-2-amine)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.94
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UGORUF
Authors/Journal
Chemical
Name: decanedioic acid bis(1,3-thiazol-2-amine)
Synonym:
Source:
Melting Point:
Colour: light brown
Extra Information:
Experimental
R-Factor (%): 4.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UGOSAM
Authors/Journal
Chemical
Name: octanedioic acid bis(4-methyl-1,3-thiazol-2-amine)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.46
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UGOSEQ
Authors/Journal
Chemical
Name: decanedioic acid bis(4-methyl-1,3-thiazol-2-amine)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.24
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UGOTER
Authors/Journal
Chemical
Name: dodecanedioic acid bis(5-methyl-1,3-thiazol-2-amine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.59
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHACEO
Authors/Journal
Authors: Linglei Jiang, Ying Huang, Qi Zhang, Hongyan He, Yun Xu,
Xuefeng Mei
Chemical
Name: bis(1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione) 4,4'-
sulfonyldianiline
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.24
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHAPUO
Authors/Journal
Authors: T.Sugiyama, Jiben Meng, T.Matsuura
Chemical
Name: 2-Chloro-4-nitrobenzoic acid 4-benzoylpyridine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.64
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHAQAV
Authors/Journal
Chemical
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHAQEZ
Authors/Journal
Chemical
Synonym:
Source:
Colour: pale green
Extra Information:
Experimental
R-Factor (%): 4.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHAQID
Authors/Journal
Chemical
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHAQOJ
Authors/Journal
Chemical
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.15
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHAQUP
Authors/Journal
Chemical
Synonym:
Source:
Colour: pale orange
Extra Information:
Experimental
R-Factor (%): 4.03
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHAWUX
Authors/Journal
Authors: G.Rama Krishna, Limin Shi, P.P.Bag, Changquan Calvin Sun,
C.Malla Reddy
Chemical
Name: 3-hydroxy-4-methoxybenzaldehyde 2-chloro-4,6-dinitroaniline
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 9.1
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHAXEI
Authors/Journal
Authors: G.Rama Krishna, Limin Shi, P.P.Bag, Changquan Calvin Sun,
C.Malla Reddy
Chemical
Name: 2,2'-(ethane-1,2-diylbis(nitrilomethylylidene))bis(6-
methoxyphenol) bis(2-chloro-4,6-dinitroaniline)
Synonym:
Source:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.78
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHELUO
Authors/Journal
Authors: Rong Liu, S.Valiyaveettil, Kum-Fun Mok, J.J.Vittal, A.Kar Min
Hoong
Chemical
Name: 1,4-bis(2-Carboxybenzyloxy)benzene 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHEMEZ
Authors/Journal
Authors: D.J.Quinlan, A.J.Blake, P.Hubberstey
Chemical
Name: 2-Cyanoguanidine 2-(N-cyano)imino-4,6-dimethylpyrimidine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.0
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHEPII
Authors/Journal
Authors: A.F.Mabied, E.M.Shalaby, H.A.Zayed, I.S.A.Farag
Journal: J.Cryst. , 2014, 179671, 2014
Chemical
Formula: C21 H25 N7 O2 S1,H1 Br1
Name: 8-(2-(3-Butyl-4-phenyl-1,3-thiazol-2(3H)-ylidene)hydrazino)-
1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione hydrobromide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHEVIN
Authors/Journal
Authors: A.Bacchi, M.Carcelli, T.Chiodo, G.Cantoni, C.De Filippo,
S.Pipolo
Chemical
Name: 1-(Pyridin-4-yl)ethanone (4-aminophenyl)methanol
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UHUNAM
Authors/Journal
Authors: I.Takahashi, M.Takahashi, H.Kitajima, M.Wagi, Y.Takahashi,
M.Sabi, M.Hatanaka, A.Yamano, T.Ohta, S.Hosoi
Chemical
Name: 4,4'-propane-2,2-diyldiphenol pyridin-2(1H)-one
Synonym: Bisphenol A 2-pyridone
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UJEMOL
Authors/Journal
Authors: V.R.Pedireddi, J.PrakashaReddy, K.K.Arora
Chemical
Name: bis(3,5-Dinitrobenzamide) 3,5-dinitrobenzonitrile
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UJORAM
Authors/Journal
Authors: T.Akutagawa, T.Uchimaru, K.Sakai, T.Hasegawa, T.Nakamura
Chemical
Name: 4,4'-Bipyridine bis(2,4-dinitrophenol)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UJOREQ
Authors/Journal
Authors: T.Akutagawa, T.Uchimaru, K.Sakai, T.Hasegawa, T.Nakamura
Chemical
Name: 4,4'-Bipyridine bis(2,5-dinitrophenol)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UJURUM
Authors/Journal
Authors: F.Biscarini, M.Cavallini, D.A.Leigh, S.Leon, S.J.Teat,
J.K.Y.Wong, F.Zerbetto
Chemical
Name: (2)-((Z)-N,N'-dimethyl N,N'-bis(2,2-diphenylethyl) maleic acid
diamide)-(3,7,11,15-tetra-aza-1,9(1,3)-dibenzena-5,13(1,4)-
dibenzenacyclohexadecaphane-2,8,10,16-tetraone)-rotaxane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.11
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UKEKAW01
Authors/Journal
Authors: M.C.Gerthoffer, Sikai Wu, Bo Chen, Tao Wang, S.Huss,
S.M.Oburn, V.H.Crespi, J.V.Badding, E.Elacqua
Chemical
Name: pentafluorophenol phenol
Synonym: Phenol Pentafluorophenol
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.33
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UKIFUS
Authors/Journal
Authors: A.Santoro, G.Bella, G.Bruno, G.Neri, Z.Akbari, F.Nicolo
Chemical
Name: bis(4-chlorobenzoic acid) 4,4'-(propane-1,3-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: recrystallized by cooling from the acetonitrile solution
Experimental
R-Factor (%): 4.62
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UKITEQ
Authors/Journal
Authors: Kaikai Hu, Jiayan Chen, Lijun Zhang, Yuting Zhang, Weiqiang
Xu, Shouwen Jin, Daqi Wang
Chemical
Formula: C12 H14 O5,1.5(C8 H8 N2 S1)
Name: 3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid sesquikis(4-
methyl-1,3-benzothiazol-2-amine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.12
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UKITUG
Authors/Journal
Chemical
Formula: 0.5(C10 H18 O4),C8 H8 N2 S1
Name: hemikis(decanedioic acid) 4-methyl-1,3-benzothiazol-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.51
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UKIVIW
Authors/Journal
Chemical
Formula: 0.5(C8 H10 O8),C8 H8 N2 S1
Name: 4-methyl-1,3-benzothiazol-2-amine hemikis(butane-1,2,3,4-
tetracarboxylic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.79
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULABAN
Authors/Journal
Chemical
Name: benzene-1,3-diol 2,2'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULAJAV
Authors/Journal
Chemical
Name: 4-chlorobenzene-1,3-diol 2,2'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULEKIG
Authors/Journal
Authors: Jin-Lai Qin
Chemical
Name: 4,4'-Bipyridine 5-fluorobenzene-1,3-dicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.88
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULESUB
Authors/Journal
Authors: J.Mavracic, D.Cincic, B.Kaitner
Chemical
Formula: C10 H8 N2,2(C4 H4 Br1 N1 O2)
Name: 4,4'-bipyridine bis(1-bromopyrrolidine-2,5-dione)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.28
Temperature: 295
Density (CCDC): 1.7
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULETAI
Authors/Journal
Authors: J.Mavracic, D.Cincic, B.Kaitner
Chemical
Name: 1-bromopyrrolidine-2,5-dione 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULEWIS
Authors/Journal
Authors: Shie Fu Lush, Chong Wei Chen, Chieh Yang, Fwu Ming Shen
Chemical
Name: 4-Amino-3-methylbenzoic acid 4,4'-ethane-1,2-diyldipyridine
Synonym: 4-Amino-3-methylbenzoic acid 1,2-bis(4-pyridyl)ethane
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.44
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULIZUM
Authors/Journal
Authors: Fanxing Meng, Jing Min, Chunyu Wang, Liyan Wang
Chemical
Name: 5-Methoxybenzene-1,3-diol, (1E,3E)-1,4-bis(1H-imidazol-1-
yl)buta-1,3-diene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.22
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULOXIC
Authors/Journal
Authors: S.G.Bodige, W.H.Watson
Chemical
Formula: C10 H16 N2 S4,C8 H6 Br2 O2
Name: bis((Pyrrolidin-1-yl)thiocarbonyl)-disulfide 2,3-dibromo-5,6-
dimethyl-benzo-1,4-quinone
Synonym: N,N:N',N'-bis(Tetramethylene)thiuram disulfide 2,3-dibromo-
5,6-dimethyl-benzo-1,4-quinone
Source:
Melting Point:
Colour: orange-red
Extra Information:
Experimental
R-Factor (%): 9.2
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULOYUR
Authors/Journal
Authors: Zhi-Peng Wang, Fan Zhang, Qi-Qi Zhang, Xin-Zhan Sun
Chemical
Name: 4-((Pyridin-4-ylmethyl)sulfanyl)pyridine succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.91
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULUFIQ
Authors/Journal
Authors: P.Zugenmaier, I.Bock, J.Schacht
Chemical
Name: 4-(omega-cyanobutyloxy)benzoic acid 4-(omega-
cyanopentyloxy)benzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULUFIS
Authors/Journal
Authors: Jian-Rong Wang, Xiaojuan Wang, Yong Yang, Xiaoyan Chen,
Xuefeng Mei
Chemical
Name: 17-beta-Estradiol isonicotinamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.64
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULUQUP
Authors/Journal
Authors: M.TalwelkarShimpi, S.Oberg, L.Giri, V.R.Pedireddi
Chemical
Formula: C7 H8 N4 O2,C6 H6 B1 Cl1 O2
Name: (4-chlorophenyl)boronic acid 1,3-dimethyl-3,7-dihydro-1H-
purine-2,6-dione
Synonym: theophylline (4-chlorophenyl)boronic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.53
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULURAW
Authors/Journal
Chemical
Formula: C7 H8 N4 O2,C6 H6 B1 I1 O2
Name: (4-iodophenyl)boronic acid 1,3-dimethyl-3,7-dihydro-1H-purine-
2,6-dione
Synonym: (4-iodophenyl)boronic acid theophylline
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.97
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ULUREA
Authors/Journal
Chemical
Name: (4-hydroxyphenyl)boronic acid 1,3-dimethyl-3,7-dihydro-1H-
purine-2,6-dione
Synonym: (4-hydroxyphenyl)boronic acid theophylline
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UMESOX
Authors/Journal
Authors: M.Bartolo, S.Tsui, P.LeMagueres, E.W.Reinheimer
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 2-(5,6-dihydro-2H-
[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-5,6-dihydro-2H-[1,3]dithiolo[4,5-b]
[1,4]dithiine
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 2.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UMETEL
Authors/Journal
Authors: S.Chandrasekhar, G.Kulkarni, Muktha B, T.N.G.Row
Chemical
Formula: C20 H14 O2,2(C18 H15 O1 P1)
Name: rac-(RS)-1,1'-Bi-(2-naphthol) bis(triphenylphosphine oxide)
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: The atomic coordinates indicate protonation of the
triphenylphosphine oxide oxygen atom, although this is not mentioned in the paper
REFCODE: UMIMOS
Authors/Journal
Authors: Jing Zhang, Lixin Wu, Yuguo Fan
Chemical
Name: Azopyridine sebacic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UMIMUY
Authors/Journal
Chemical
Name: Azopyridine adipic acid
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UMINAF
Authors/Journal
Chemical
Name: Azapyridine oxalic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: Incorrect cell (from a previous paper) has been published
REFCODE: UMINEJ
Authors/Journal
Chemical
Name: 1,2-bis(4-Pyridyl)ethene adipic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.46
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UMININ
Authors/Journal
Chemical
Name: Azopyridine fumaric acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UMINOT
Authors/Journal
Chemical
Name: 1,2-bis(4-Pyridyl)ethene succinic acid
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 6.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UNAWUD
Authors/Journal
Authors: P.Muthuraja, M.Sethuram, T.Shanmugavadivu, M.Dhandapani
Chemical
Name: 3,5-dinitrobenzoic acid 1H-1,2,3-triazole
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UNAXAK
Authors/Journal
Authors: P.Muthuraja, M.Sethuram, T.Shanmugavadivu, M.Dhandapani
Chemical
Name: 2-methylenesuccinic acid 4,6-dimethylpyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UNEBOE
Authors/Journal
Authors: K.K.Arora, V.R.Pedireddi
Chemical
Name: 1,2,4,5-Benzene tetracarboxylic acid bis(1,7-phenanthroline)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UNECIB
Authors/Journal
Authors: S.Geranmayeh, F.Mohammadnezhad, A.Abbasi
Journal: J.Inorg.Organomet.Polym.Mater. , 26, 109, 2016
Chemical
Name: terephthalic acid bis(1-methylpyrrolidin-2-one)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.48
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UNEFIE
Authors/Journal
Authors: C.Fujisue, T.Kadoya, T.Higashino, R.Sato, T.Kawamoto, T.Mori
Chemical
5,10-dihydroindolo[3,2-b]indole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.5
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UNISUG
Authors/Journal
Chemical
Name: Caffeine 1H-pyrazole-3,5-dicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.07
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UNITAN
Authors/Journal
Chemical
Name: bis(Caffeine) trimellitic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.2
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UNOZIJ
Authors/Journal
Authors: Abdelmoty, Iman, Foxman, M.Bruce
Chemical
Name: 1,10-phenanthroline pent-4-ynoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.45
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UNUNID
Authors/Journal
Chemical
Name: phenazine bis(prop-2-ynoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.05
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UNUNOJ
Authors/Journal
Chemical
Name: pyrazine bis(pent-4-ynoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UNUQOK
Authors/Journal
Authors: Wan-Qiang Wang
Chemical
Name: 2,4,6-Trinitrophenol 2,4,6-trichloroaniline
Synonym: Picric acid 2,4,6-trichloroaniline
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.81
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UPAVUE
Authors/Journal
Authors: T.Higashino, M.Dogishi, T.Kadoya, R.Sato, T.Kawamoto, T.Mori
Chemical
diylidene)dimalononitrile 3,8-dimethoxy[1]benzothieno[3,2-b][1]benzothiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 9.64
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UPEDOK
Authors/Journal
Authors: P.Nandy
Chemical
Formula: C9 H8 Br1 N5,0.5(C6 H10 O4)
Name: 6-(4-bromophenyl)-1,3,5-triazine-2,4-diamine hemikis(adipic
acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 10.19
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UPEHEE
Authors/Journal
Authors: T.Higashino, M.Dogishi, T.Kadoya, R.Sato, T.Kawamoto, T.Mori
Chemical
Name: 3,8-dimethoxy[1]benzothieno[3,2-b][1]benzothiophene 2,2'-
Synonym: 3,8-dimethoxy[1]benzothieno[3,2-b][1]benzothiophene
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.96
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UQIFUX
Authors/Journal
Authors: M.Wera, P.Storoniak, D.Trzybinski, B.Zadykowicz
Chemical
Formula: C13 H9 N1 S1,H3 N1
Name: acridine-9(10H)-thione ammonia
Synonym:
Source:
Melting Point:
Colour: red
Experimental
R-Factor (%): 4.24
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UQIWAV
Authors/Journal
Authors: E.A.Nikiforova, N.F.Kirillov, D.V.Baibarodskikh, S.N.Shurov,
M.V.Dmitriev, D.P.Zverev
Journal: Mendeleev Commun. , 31, 248, 2021
Chemical
Name: 8-phenyl-6,7-diazaspiro[3.4]oct-7-en-5-one 3-phenyl-2,4,5,6-
tetrahydropyrano[2,3-c]pyrazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.73
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UREATE
Authors/Journal
Authors: J.Loub, W.Haase, R.Mergehenn
3039, 1979
Chemical
Name: bis(Urea) orthotelluric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: UREATE02
Authors/Journal
Authors: M.-T.Averbuch-Pouchot, A.Durif
Journal: C.R.Seances Acad.Sci.,Ser.II , 309, 25, 1989
Chemical
Name: Diurea telluric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: URENOW
Authors/Journal
Authors: F.Ozturk, I.Bulut, Y.E.Yavuz, A.Bulut
Chemical
Name: 4-amino-N-(5-methyl-1,3,4-thiadiazol-2(3H)-
ylidene)benzenesulfonamide 4,6-dimethoxypyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.51
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UREXPO
Authors/Journal
Authors: C.-S.Lu, E.W.Hughes, P.A.Gignere
Chemical
Formula: C1 H4 N2 O1,H2 O2
Name: Urea-hydrogen peroxide
Synonym: Hyperol
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: URISAQ
Authors/Journal
Authors: M.A.Elbagerma, H.G.M.Edwards, T.Munshi, I.J.Scowen
Journal: Anal.Bioanal.Chem. , 397, 137, 2010
Chemical
Name: Salicylic acid benzamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.22
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: URMALN
Authors/Journal
Authors: G.Bandoli, D.A.Clemente, M.Brustolon, C.Corvaja, C.Pinzino,
A.Colligiani
Journal: Mol.Phys. , 39, 1145, 1980
Chemical
Name: Urea malonic acid
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: H1' contacts H1 at 0.66A, and has been removed
REFCODE: URNFRO
Authors/Journal
Authors: M.Mathew, G.J.Palenik
Chemical
Name: Urea-syn-5-nitro-2-furaldehyde oxime complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: UROXAL
Authors/Journal
Authors: S.Harkema, J.W.Bats, A.M.Weyenberg, D.Feil
1646, 1972
Chemical
Name: bis(Urea)-oxalic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: UROXAM
Authors/Journal
Authors: S.Harkema, J.H.M.ter Brake
1011, 1979
Chemical
Name: Urea oxalic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: URPRBN10
Authors/Journal
Authors: P.M.Colman, E.H.Medlin
1547, 1970
Chemical
Name: Urea-parabanic acid complex
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.6
Temperature: 295
Intensity Meas: 1
Disorder:
Extra Information:
CCDC Notes:
REFCODE: USAFIE
Authors/Journal
Authors: I.Zouev, D.-K.Cao, T.V.Sreevidya, M.Telzinsky, M.Botoshansky,
M.Kaftory
Chemical
Formula: C30 H22 O2,2(C18 H16 O2)
Name: Propyl anthracene-9-carboxylate 1,1,6,6-tetraphenylhexa-2,4-
diyne-1,6-diol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: USAKEF
Authors/Journal
Chemical
Formula: 1.5(C10 H8 N2),C6 H7 B1 O3
Name: (4-Hydroxyphenyl)boronic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: USAKIJ
Authors/Journal
Chemical
Name: (4-Hydroxyphenyl)boronic acid 4,7-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: USOBOU
Authors/Journal
Authors: Xing-Wei Cai, Hong-Fei Lu
Chemical
Name: 4-Methylbenzoic acid isonicotinonitrile
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.14
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: USUQAD
Authors/Journal
Authors: R.Kavitha, S.Nirmala, V.Sampath, V.Shanmugavalli, B.Latha
Chemical
Name: quinolin-1-ium-2-carboxylate chloroacetic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UTEJAG
Authors/Journal
Authors: Zhi-Bin Zhang, Tong Li, Lei Yin, Xin Yin, Jian-Guo Zhang
Chemical
Name: 1H,1'H-5,5'-bitetrazole-1,1'-diol bis(1H-1,2,3-triazol-1-
amine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UVOHOF
Authors/Journal
Authors: J.A.Baptista, R.A.E.Castro, M.T.S.Rosado, T.M.R.Maria, M.Ramos
Silva, J.Canotilho, M.Ermelinda S.Eusebio
Chemical
Name: 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 5-(4-
chlorophenyl)-6-ethylpyrimidine-2,4-diamine
Synonym: pyrimethamine caffeine
Source:
Melting Point:
Colour: colorless
Extra Information: pyrimethamine is an anti-malarial drug
Experimental
R-Factor (%): 7.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UWAJAF
Authors/Journal
Authors: M.Armaghan, M.M.Amini, H.R.Khavasi, Wen-Hua Zhang, Siek Weng
Ng
Chemical
Formula: C14 H4 Cl2 N2 O6,C14 H12 S1
Name: 1,5-dichloro-4,8-dinitro-9,10-anthraquinone 4,6-
dimethyldibenzo[b,d]thiophene
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UWEMUG
Authors/Journal
Authors: N.R.Khasiyatullina, V.F.Mironov, D.B.Krivolapov, E.V.Mironova,
O.I.Gnezdilov
Chemical
Formula: 2(C17 H15 F6 O6 P1),C6 H14 O2
Name: bis(4,4,4-trifluoro-2,3-dihydroxy-1,2-diphenyl-3-
(trifluoromethyl)butyl dihydrogen phosphate) pinacol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.73
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UWEPUI
Authors/Journal
Authors: D.P.Iwaniuk, C.Wolf
Chemical
Name: N-(1-(1-Naphthyl)ethyl)-3,5-dinitrobenzamide 2,2-dimethyl-N-
(1-(1-naphthyl)ethyl)propanamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UWEYED
Authors/Journal
Authors: Xinyuan Wang, Lei Wang, Changlin Yao, Guanying Xie, Shuhong
Song, Huimin Li, Yaqian Qu, Xutang Tao
Chemical
Name: 6-fluoro-3-hydroxypyrazine-2-carboxamide 1,3-dimethyl-3,7-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.29
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UWEYED01
Authors/Journal
Chemical
Name: 6-fluoro-3-hydroxypyrazine-2-carboxamide 1,3-dimethyl-3,7-
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.78
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UWIPUO
Authors/Journal
Authors: Wei Jiang, Xiaoyan Ma, Dan Liu, Guimin Zhao, Wenwen Tian,
Yueming Sun
Chemical
Name: 9-methyl-9H-carbazole benzene-1,2,4,5-tetracarbonitrile
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.51
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UWIQEZ
Authors/Journal
Authors: Wei Jiang, Xiaoyan Ma, Dan Liu, Guimin Zhao, Wenwen Tian,
Yueming Sun
Chemical
Formula: C21 H17 N1,1.5(C10 H2 N4)
Name: 7,7-dimethyl-5,7-dihydroindeno[2,1-b]carbazole
sesquikis(benzene-1,2,4,5-tetracarbonitrile)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.39
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UWOKIC
Authors/Journal
Authors: A.R.Pallipurath, F.Civati, M.Eziashi, E.Omar, P.McArdle,
A.Erxleben
Chemical
Formula: C13 H8 F2 O3,0.5(C4 H4 N2)
Name: 2',4'-difluoro-4-hydroxybiphenyl-3-carboxylic acid
hemikis(pyrazine)
Synonym: Diflunisal hemikis(pyrazine)
Source:
Melting Point:
Colour: colorless
Extra Information: Diflunisal is a non-steroidal anti-inflammatory drug (NSAID)
Experimental
R-Factor (%): 4.99
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UXARAP
Authors/Journal
Authors: A.M.Abeysekera, B.B.Averkiev, A.S.Sinha, P.Le Magueres,
C.B.Aakeroy
Journal: ChemPlusChem , 86, 1049, 2021
Chemical
Formula: 2(C12 H9 I1 N2 O1),C6 F4 I2
Name: bis(N-(5-iodopyridin-2-yl)benzamide) 1,2,4,5-tetrafluoro-3,6-
di-iodobenzene
Synonym:
Source:
Melting Point:
Colour: dull light colorless
Extra Information:
Experimental
R-Factor (%): 2.62
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UXAWAU
Authors/Journal
Authors: T.Alexandru, M.O.Maria, Z.Liviu, D.Maria, K.Irina, B.Gheorghe
Chemical
Formula: C7 H6 Cl1 N1 O5 S1,C7 H6 O2
Name: benzoic acid 4-chloro-2-hydroxy-5-sulfamoylbenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UXEGOV
Authors/Journal
Authors: Xin-Hong, Chang, Shi-Hui, Li, De-Guang, Du
Chemical
Formula: 1.5(C22 H16 N2),C16 H10 O8
Name: biphenyl-2,3',5,5'-tetracarboxylic acid sesquikis(4-(4'-
(pyridin-4-yl)biphenyl-4-yl)pyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.41
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UXEPUK02
Authors/Journal
Authors: A.Gunnam, K.Suresh, R.Ganduri, Ashwini Nangia
Chemical
Name: 5-amino-1-cyclopropyl-7-((3R,5S)-3,5-dimethylpiperazin-1-yl)-
6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid methyl 4-hydroxybenzoate
Synonym: Sparfloxacin methyl paraben
Source:
Colour: yellow
Extra Information: sparfloxacin is a bactericidal drug
Experimental
R-Factor (%): 6.06
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UXEQEV02
Authors/Journal
Chemical
6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid ethyl 4-hydroxybenzoate
Synonym: Sparfloxacin ethyl paraben
Source:
Colour: yellow
Experimental
R-Factor (%): 4.98
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UXEQIZ02
Authors/Journal
Chemical
6,8-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid isobutyl 4-
hydroxybenzoate
Synonym: Sparfloxacin isobutyl paraben
Source:
Colour: yellow
Experimental
R-Factor (%): 6.38
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UXOBOZ
Authors/Journal
Authors: A.Duong, T.Maris, J.D.Wuest
Chemical
Name: bis(Nonanoic acid) pyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 11.29
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UXOFOD
Authors/Journal
Authors: J.Pernak, A.Swierczynska, M.Kot, F.Walkiewicz, H.Maciejewski
Chemical
Name: 2,6-dimethyl-4-pyrone salicylic acid
Synonym: 2-Hydroxybenzoic acid 2,6-dimethyl-4H-pyran-4-one
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.14
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UYAXEZ
Authors/Journal
Authors: Ning-rui Li
Chemical
Formula: C6 N6 O6,2(C7 H5 N1 O3)
Name: 4-nitrobenzaldehyde 1,3,4,6,7,9-
hexahydrobis[1,2,5]oxadiazolo[3,4-e:3',4'-g][2,1,3]benzoxadiazole 1,4,7-trioxide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 21.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: The exact chemistry is not clear, R-factor is large at 21.72%
REFCODE: UYEKOB
Authors/Journal
Authors: T.Peddarao, A.Baishya, N.Sarkar, R.Acharya, S.Nembenna
Journal: Eur.J.Inorg.Chem. , , , 2021
Chemical
Name: N-[2,6-di-isopropylphenyl]-4,4-dimethyl-8-isopropyl-4H-3,1-
benzoxazin-2-amine N-[2,6-di-isopropylphenyl]-4,4-dimethyl-8-isopropyl-1,4-dihydro-
2H-3,1-benzoxazin-2-imine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.67
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UYUHUS
Authors/Journal
Authors: A.Bandela, J.P.Chinta, V.K.Hinge, A.G.Dikundwar, T.N.G.Row,
C.P.Rao
Chemical
Formula: C72 H74 N2 O8,1.5(C11 H8 O1)
Name: 5,11,17,23-tetra-t-butyl-26,28-dihydroxy-25,27-bis(2-(1,3-
dioxo-benzo(de)isoquinolin-2-yl)ethoxy)calix(4)arene sesquikis(1-naphthaldehyde)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UZARIZ
Authors/Journal
Authors: M.S.Brown, M.A.Caporello, A.E.Goetz, A.M.Johnson, K.N.Jones,
K.M.Knopf, S.A.Kulkarni, T.Lee, Bryan Li, C.V.Lu, J.Magano, A.L.A.Puchlopek-
Dermenci, G.P.Reyes, S.G.Ruggeri, Lulin Wei, G.A.Weisenburger, R.A.Wisdom, Mengtan
Zhang
Chemical
Formula: 2(C13 H18 N2),C12 H10 O2
Name: bis([1,1'-biphenyl]-4,4'-diol) 8-benzyl-3,8-
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.63
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes: No coordinates have been deposited at CCDC for this structure
REFCODE: UZOJID
Authors/Journal
Authors: L.Boudiba, A.Gouasmia, J.-P.Legros, J.Jaud, J.-M.Fabre
Journal: J.Soc.Alger.Chim.(Journal of the Algerian Chemical Society) ,
20, 17, 2010
Chemical
Formula: 2(C11 H12 S4 Se2),C12 H4 N4
Name: bis(4,5-(trimethylene)-4',5'-bis(methylseleno)-
tetrathiafulvalene) tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 8.53
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VACFIO
Authors/Journal
Authors: R.Gilardi, M.Maggini, P.E.Eaton
Chemical
Formula: C20 H22,0.5(C16 H14)
Name: bis(2-t-Butylcubylcubane) cubylcubane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VAFWOP
Authors/Journal
Authors: G.Saito, H.Sasaki, T.Aoki, Y.Yoshida, A.Otsuka, H.Yamochi,
O.O.Drozdova, K.Yakushi, H.Kitagawa, T.Mitani
Chemical
Name: Ethylenedioxyethylenedithiotetrathiafulvalene 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VAFWUV
Authors/Journal
Chemical
Formula: 2(C10 H8 O2 S6),C14 H8 N4 O2
Name: bis(Ethylenedioxyethylenedithiotetrathiafulvalene) 1,4-
dimethoxy-7,7,8,8-tetracyano-p-quinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Density (CCDC): 1.6
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VAFXEG
Authors/Journal
Chemical
Formula: C10 H8 O2 S6,2(C12 N8 S2)
Name: Ethylenedioxyethylenedithiotetrathiafulvalene bis((8-
(dicyanomethylene)-1,2,5-thiadiazolo(3',4'-6,5)benzo(2,3-c)1,2,5-thiazol-4-
ylidene)methane-1,1-dicarbonitrile)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VAFXIK
Authors/Journal
Chemical
Formula: 2(C10 H8 O2 S6),C6 I4 O2
Name: bis(Ethylenedioxyethylenedithiotetrathiafulvalene) p-iodoanil
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VAFYEH
Authors/Journal
Authors: K.Nishimura, S.S.Khasanov, G.Saito
Chemical
Name: bis(Ethylenedioxy)tetrathiafulvalene
dihydrotetracyanodiphenoquinodimethane
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VAFYOR
Authors/Journal
Chemical
Name: bis(Dibenzotetrathiafulvalene)
dihydrotetracyanodiphenoquinodimethane
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VAFZAE
Authors/Journal
Chemical
Formula: C16 H20 N2,2(C18 H10 N4)
Name: 3,3',5,5'-Tetramethylbenzidine
bis(dihydrotetracyanoquinodiphenoquinodimethane)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.42
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAFZEI
Authors/Journal
Chemical
Name: Phenazine dihydrotetracyanoquinodiphenoquinodimethane
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAGSEE
Authors/Journal
Authors: S.Mittapalli, G.Bolla, S.Perumalla, Ashwini Nangia
Chemical
Formula: C18 H15 Cl1 N2 O2 S1,0.5(C6 H10 O4)
Name: 5-Chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-2,3'-
bipyridine hemikis(hexane-1,6-dicarboxylic acid)
Synonym: Etoricoxib hemikis(adipic acid)
Source:
Colour: colorless
Extra Information: etoricoxib is a COX-2 inhibitor
Experimental
R-Factor (%): 5.55
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAGSOO
Authors/Journal
Chemical
Name: 5-Chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-2,3'-
bipyridine octane-1,8-dicarboxylic acid
Synonym: Etoricoxib suberic acid
Source:
Colour: colorless
Extra Information: etoricoxib is a COX-2 inhibitor
Experimental
R-Factor (%): 4.24
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAGVAD
Authors/Journal
Chemical
Name: 5-chloro-6'-methyl-3-(4-(methylsulfonyl)phenyl)-2,3'-
bipyridine pentanedioic acid
Synonym: etoricoxib gluraric acid
Source:
Colour: colorless
Extra Information: cyclooxygenase-2 (COX-2) inhibitor
Experimental
R-Factor (%): 4.45
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAHYEL
Authors/Journal
Authors: M.Szafran, A.Komasa, M.Aniola, A.Katrusiak, Z.Dega-Szafran
Journal: Vibrational Spectroscopy , 84, 92, 2016
Chemical
Name: (dimethyl(phenyl)azaniumyl)acetate dichloroacetic acid
Synonym: dimethylphenyl betaine dichloroacetic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAJPOO
Authors/Journal
Authors: Yingxia Zong, Hui Shao, Yanyan Pang, Debao Wang, Kang Liu, Lei
Wang
Chemical
Name: 6-hydroxy-2-naphthoic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VALTUX
Authors/Journal
Authors: M.T.Averbuch-Pouchot
Chemical
Name: bis((methylazaniumyl)acetate) hexahydroxy-tellurium
Synonym: Sarcosine telluric acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 1.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VANNEH
Authors/Journal
Authors: Jagajiban Sendh, Munendra Pal Singh, J.B.Baruah
Chemical
Name: 5-{[(pyren-1-yl)methyl]amino}benzene-1,3-dicarboxylic acid
4,6-dimethylpyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.43
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VANNIL
Authors/Journal
Chemical
Name: bis(5-{[(pyren-1-yl)methyl]amino}benzene-1,3-dicarboxylic
acid) phenazine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.82
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VANNUX
Authors/Journal
Chemical
Name: 5-{[(pyren-1-yl)methyl]amino}benzene-1,3-dicarboxylic acid 6-
phenyl-1,3,5-triazine-2,4-diamine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.38
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAPFEX
Authors/Journal
Chemical
Name: 2-Aminobenzothiazole 3-aminobenzoic acid
Synonym:
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.13
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VAQKUV
Authors/Journal
Authors: C.Walbaum, I.Pantenburg, G.Meyer
Chemical
Formula: C24 H32 O8,I2
Name: 6,7,9,10,12,13,20,21,23,24,26,27-Dodecahydrodibenzo[b,n]
[1,4,7,10,13,16,19,22]octaoxacyclotetracosine iodine
Synonym: dibenzo-24-crown-8 iodine
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.01
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAQTOW
Authors/Journal
Authors: N.Haga, H.Nakajima, H.Takayanagi, K.Tokumaru
Chemical
Name: Acenaphthalene tetracyanoethene
Synonym:
Source:
Colour: tan-brown
Extra Information:
Experimental
R-Factor (%): 9.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VASYEU
Authors/Journal
Authors: M.Hasegawa, M.Terauchi, Y.Kikuchi, A.Nakao, J.Okubo,
T.Yoshinaga, H.Hiratsuka, M.Kobayashi, T.Hoshi
Chemical
Name: ellagic acid tetrakis(pyridine)
Synonym: 2,2'-Dicarboxy-4,5,6,4',5',6'-hexahydroxybiphenyl dilactone
tetrakis(pyridine)
Source:
Melting Point:
Colour: pale brown
Extra Information:
Experimental
R-Factor (%): 7.4
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VATCOI
Authors/Journal
Authors: A.R.Katritzky, C.M.Marson, G.Palenik, A.E.Koziol, H.Luce,
M.Karelson, Ban-Chi Chen, W.Brey
Chemical
Name: bis(2,4-Dichloro-3-(pyrrolidinylmethylene)cyclohexa-1,4-diene-
1,5-dicarboxaldehyde) hydroquinone
Synonym:
Source:
Colour: ruby-red
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VATTIV
Authors/Journal
Authors: Shouwen Jin, Xinghua Lu, Daqi Wang, Wei Chen
Chemical
Name: 2-Methylquinoline benzene-1,3,5-tricarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.06
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VATXOF
Authors/Journal
Authors: H.C.Garcia, R.T.Cunha, R.Diniz, L.F.C.de Oliveira
Chemical
Name: 4-Aminosalicylic acid 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAWLAG
Authors/Journal
F.Toda
Chemical
Name: 1,4-Diazabicyclo(2.2.2)octane bis((-)-1-(o-chlorophenyl)-1-
Synonym:
Source:
Melting Point:
Colour:
Extra Information: absolute configuration; for racemate see [VAWLEK]
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAWLEK
Authors/Journal
F.Toda
Chemical
Name: 1,4-Diazabicyclo(2.2.2)octane bis((+-)-1-(o-chlorophenyl)-1-
Synonym:
Source:
Melting Point:
Colour:
Extra Information: for stereoisomer (-) see [VAWLAG]
Experimental
R-Factor (%): 6.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: y(N1) is 0.1983 not 0.1283
REFCODE: VAXFUV
Authors/Journal
Authors: F.Toda, K.Tanaka, T.C.W.Mak
Chemical
Name: (-)-(Z)-Benzylidene-2-(3-methylbutyl)azane oxide (R,R)-(-)-
1,6-bis(o-chlorophenyl)-1,6-dipenylhexa-2,4-diyne-1,6-diol
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VAXWAU01
Authors/Journal
Authors: G.Dutkiewicz, E.Dutkiewicz, M.Kubicki
Chemical
Name: Pyrazine succinic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAZLOA
Authors/Journal
Authors: M.Zbacnik, M.Pajski, V.Stilinovic, M.Vitkovic, D.Cincic
Chemical
Name: 2-methoxy-6-{[(naphthalen-1-yl)imino]methyl}phenol 1,2,3,5-
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.72
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAZMIV
Authors/Journal
Chemical
Name: 2-methoxy-6-{[(naphthalen-1-yl)imino]methyl}phenol 1,2,4,5-
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAZMUH
Authors/Journal
Chemical
Name: 2-methoxy-6-{[(tricyclo[3.3.1.1$3,7!]decan-1-
yl)imino]methyl}phenol 1,2,3,4-tetrafluoro-5,6-diiodobenzene
Synonym: 2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol 1,2-di-iodo-
3,4,5,6-tetrafluorobenzene
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.96
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAZNAO
Authors/Journal
Chemical
Name: bis(2-methoxy-6-{[(tricyclo[3.3.1.1$3,7!]decan-1-
yl)imino]methyl}phenol) 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym: bis(2-(Adamantan-1-yliminomethyl)-6-methoxy-phenol) 1,4-di-
iodo-2,3,5,6-tetrafluorobenzene
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.49
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VECLIY
Authors/Journal
Authors: H.Nakagawa, K.Yamada, H.Kawazura
Chemical
Name: Thieno(3,2-e:4,5-e')di(1)benzothiophene 2-(2,4,5,7-tetranitro-
9-fluorenylideneaminoxy)propionic acid
Synonym: (5)Thiaheterohelicene 2-(2,4,5,7-tetranitro-9-
fluorenylideneaminoxy)propionic acid
Source:
Melting Point:
Colour: deep red
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VEDLOI
Authors/Journal
Authors: Aihua Ding, Shouwen Jin, Shide Jin, KaiKai Hu, Zhihao Lin, Hui
Liu, Daqi Wang
Chemical
Name: 1,1'-methylenebis(1H-imidazole) octanedioic acid
Synonym: bis(N-imidazolyl)methane suberic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEFVIM
Authors/Journal
Authors: S.Varughese, V.R.Pedireddi
Chemical
Name: 3,5-Dihydroxybenzoic acid 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.93
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEFWAF
Authors/Journal
Authors: S.Varughese, V.R.Pedireddi
Chemical
Name: 4,4'-bipyridine 4-bromo-3,5-dihydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.75
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEHNIF
Authors/Journal
Authors: Jung-Si Lee, Ing-Yung Chen
Journal: J.Chin.Chem.Soc.(Taipei) , 36, 123, 1989
Chemical
Name: 9,9'-Bifluorenylidene 7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Colour:
Extra Information: insulator
Experimental
R-Factor (%): 2.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VEHXIP
Authors/Journal
Authors: G.V.Gridunova, Z.I.Ezhkova, V.E.Shklover, Yu.T.Struchkov,
E.D.Sycheva, E.S.Lisitsyna, L.P.Grigor'eva
Chemical
Name: 3-(4-Butylphenylcarbamoyl)-1,2-naphthoquinone 4-tolyl-1-
hydrazone
Synonym:
Source:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Bond lengths are recorded for the hydrazoamide form; they may
be averaged across the tautomers. The hydrazoamide tautomer predominates, with some
contribution from the azoamide tautomer
REFCODE: VEHXOV
Authors/Journal
Authors: G.V.Gridunova, Z.I.Ezhkova, V.E.Shklover, Yu.T.Struchkov,
E.D.Sycheva, E.S.Lisitsyna, L.P.Grigor'eva
Chemical
Formula: 0.5(C27 H24 Cl1 N3 O2),0.5(C27 H24 Cl1 N3 O2)
Name: 3-(4-Butylphenylcarbamoyl)-1,2-naphthoquinone 4-chlorophenyl-
1-hydrazone
Synonym:
Source:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Bond lengths are recorded for the hydrazoamide form; they may
be averaged across the tautomers
REFCODE: VEJXAJ
Authors/Journal
Chemical
Name: Succinic acid bis(urea)
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VEJXAJ01
Authors/Journal
Chemical
Name: bis(Urea) butanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VEJXAJ05
Authors/Journal
Chemical
Name: bis(urea) butanedioic acid
Synonym: bis(urea) succinic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.51
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEJYUH
Authors/Journal
Authors: M.Aljohani, A.R.Pallipurath, P.McArdle, A.Erxleben
Chemical
Formula: C7 H6 Cl1 N3 O4 S2,0.5(C10 H8 N2)
Name: 6-chloro-1,1-dioxo-1,4-dihydro-1lambda$6!,2,4-
benzothiadiazine-7-sulfonamide hemikis(4,4'-bipyridine)
Synonym: chlorothiazide hemikis(4,4'-bipyridine)
Source:
Melting Point:
Colour: colorless
Extra Information: chlorothiazide is a diuretic drug
Experimental
R-Factor (%): 3.58
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEJZAO
Authors/Journal
Chemical
benzothiadiazine-7-sulfonamide
Synonym: chlorothiazide benzamide
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.39
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEJZIW
Authors/Journal
Chemical
Formula: 2(C13 H14 N2),C7 H6 Cl1 N3 O4 S2
benzothiadiazine-7-sulfonamide bis(4,4'-(propane-1,3-diyl)dipyridine)
Synonym: chlorothiazide bis(4,4'-(propane-1,3-diyl)dipyridine)
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 7.02
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEJZOC
Authors/Journal
Chemical
Formula: C12 H10 N2,C7 H6 Cl1 N3 O4 S2
benzothiadiazine-7-sulfonamide 4,4'-(ethene-1,2-diyl)dipyridine
Synonym: chlorothiazide 4,4'-(ethene-1,2-diyl)dipyridine
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.66
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEKBEV
Authors/Journal
Chemical
benzothiadiazine-7-sulfonamide pyridine-4-carboxamide
Synonym: chlorothiazide pyridine-4-carboxamide
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.39
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEKBOC
Authors/Journal
Authors: Yu Zhaolu, Zhu Naijue, Zhu Daoben
Journal: Wuli Huaxue Xuebao(Chin.)(Acta Phys.-Chim.Sin) , 3, 663, 1987
Chemical
Name: 1,6-bis(N-Carbazolyl)-2,4-hexadiyne bis(2,4,7-
trinitrofluorenone)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: z(C19) is 0.6490 not 0.3490. y(C17) is -0.8665 not -0.8865
REFCODE: VEKTAG
Authors/Journal
Authors: A.Kemme, M.Rutkis, J.Eiduss
Journal: Latv.PSR Zinat.Akad.Vestis,Khim.Ser. , , 595, 1988
Chemical
Name: Trichloroacetic acid triphenylguanidine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VELBIA
Authors/Journal
Authors: E.Losev, E.Boldyreva
Chemical
Name: 3-azaniumylpropanoate 2,3-dihydroxybutanedioic acid
Synonym: Beta-alanine DL-tartaric acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELBIA10
Authors/Journal
Authors: E.A.Losev, E.Boldyreva
Chemical
Name: beta-Alanine DL-tartaric acid
Synonym: 3-azaniumylpropanoate 2,3-dihydroxybutanedioic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELBIA11
Authors/Journal
Authors: E.A.Losev, E.Boldyreva
Chemical
Name: beta-Alanine DL-tartaric acid
Synonym: 3-azaniumylpropanoate 2,3-dihydroxybutanedioic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELVIU
Authors/Journal
Authors: M.Erakovic, V.Nemec, T.Lez, I.Porupski, V.Stilinovic, D.Cincic
Chemical
Name: 2-bromo-1H-isoindole-1,3(2H)-dione phenyl(pyridin-4-
yl)methanone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELVOA
Authors/Journal
Chemical
Name: 2-bromo-1H-isoindole-1,3(2H)-dione 2-methylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.99
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELVUG
Authors/Journal
Chemical
Formula: C8 H4 Br1 N1 O2,C5 H4 Br1 N1
Name: 2-bromo-1H-isoindole-1,3(2H)-dione 3-bromopyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.21
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELWAN
Authors/Journal
Chemical
Name: methyl pyridine-3-carboxylate 2-bromo-1H-isoindole-1,3(2H)-
dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.61
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELWER
Authors/Journal
Chemical
Name: 2-bromo-1H-isoindole-1,3(2H)-dione quinoline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.54
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELWOB
Authors/Journal
Chemical
Name: bis(2-bromo-1H-isoindole-1,3(2H)-dione) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.84
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELWUH
Authors/Journal
Chemical
Name: 2-bromo-1H-isoindole-1,3(2H)-dione 2,4,6-trimethylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.16
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELXAO
Authors/Journal
Chemical
Name: bis(2-bromo-1H-isoindole-1,3(2H)-dione) 1,4-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.84
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELXES
Authors/Journal
Chemical
Name: 2-bromo-1H-isoindole-1,3(2H)-dione 3,5-dimethylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.98
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VELXIW
Authors/Journal
Chemical
Name: 2-bromo-1H-isoindole-1,3(2H)-dione 3-methylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.72
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEMZIX
Authors/Journal
Authors: Yong-Tao Wang, Gui-Mei Tang
Chemical
Name: Naphthalene-2,7-diol 2,5-di-4-pyridyl-1,3,4-oxadiazole
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.08
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VENLUV
Authors/Journal
Authors: T.Furuya, S.Fujita, T.Fujikura
Chemical
Name: (-)-Amosulalol L(+)-hemitartrate
Synonym:
Source:
Melting Point:
Colour:
Extra Information: absolute configuration; antihypertensive agent with combined
alpha- and beta-adrenoceptor blocking activity
Experimental
R-Factor (%): 3.5
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VENZOD
Authors/Journal
Authors: O.Ermer, B.R.Vincent, J.D.Dunitz
Chemical
Formula: 2(C10 H20 O2),C10 H20 O2
Name: bis(cis-1,6-Cyclodecanediol) trans-1,6-cyclodecanediol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VEPWUL
Authors/Journal
Authors: T.A.Vaganova, Y.V.Gatilov, D.P.Pishchur, I.P.Chuikov,
E.V.Malykhin
Chemical
Name: bis(pentafluoroaniline) 18-crown-6
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.84
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEPXAS
Authors/Journal
Authors: T.A.Vaganova, Y.V.Gatilov, D.P.Pishchur, I.P.Chuikov,
E.V.Malykhin
Chemical
Name: bis(2,3,5,6-tetrafluoroaniline) 18-crown-6
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEQKIL
Authors/Journal
Authors: M.R.Bryce, M.A.Coffin, A.J.Moore, A.S.Batsanov, J.A.K.Howard
Chemical
Formula: 2(C14 H10 O2 S2),C12 H4 N4
Name: bis(2-[4,5-dimethyl-1,3-dithiol-2-ylidene]-1,3-indanedione)
Synonym:
Source:
Melting Point:
Colour: green-black
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VESYUQ
Authors/Journal
Authors: F.M.A.Noa, G.Mehlana
Chemical
Name: 4-hydroxy-3-methoxybenzaldehyde pyridine-4-carboxamide
Synonym: vanillin isonicotinamide
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEVFIL
Authors/Journal
Authors: D.O.Cowan, M.D.Mays, T.J.Kistenmacher, T.O.Poehler, M.A.Beno,
A.M.Kini, J.M.Williams, Yai-Kwong Kwok, K.D.Carlson, Li Xiao, J.J.Novoa, M.-
H.Whangbo
Chemical
Formula: C6 H4 Te4,C12 H4 N4
Name: Tetratellurafulvalene tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VEVFUZ
Authors/Journal
Authors: V.Bertolasi, P.Gilli, G.Gilli
Chemical
Formula: C17 H14 N2 O2,0.5(C12 H4 N4)
Name: (5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(phenyl)methanone
hemikis(2,2'-cyclohexa-2,5-diene-1,4-diylidenedimalononitrile)
Synonym: (5-Hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(phenyl)methanone
hemikis(tetracyanoquinodimethane)
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEVGAG
Authors/Journal
Chemical
Name: 1H-Indazol-3-ol hemikis(2,2'-cyclohexa-2,5-diene-1,4-
diylidenedimalononitrile)
Synonym: 1H-Indazol-3-ol hemikis(tetracyanoquinodimethane)
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.17
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEVGEK
Authors/Journal
Chemical
Name: Quinolin-2(1H)-one hemikis(2,2'-cyclohexa-2,5-diene-1,4-
Synonym: Quinolin-2(1H)-one hemikis(tetracyanoquinodimethane)
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.35
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEVGIO
Authors/Journal
Chemical
Name: 3-Hydroxypyridin-2(1H)-one hemikis(2,2'-cyclohexa-2,5-diene-
1,4-diylidenedimalononitrile)
Synonym: 3-Hydroxypyridin-2(1H)-one hemikis(tetracyanoquinodimethane)
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEVGOU
Authors/Journal
Chemical
Name: Pyridin-2(1H)-one hemikis(2,2'-cyclohexa-2,5-diene-1,4-
Synonym: Pyridin-2(1H)-one hemikis(tetracyanoquinodimethane)
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEVGUA
Authors/Journal
Chemical
Formula: C4 H5 N3,0.5(C12 H4 N4)
Name: Pyrimidin-2-amine hemikis(2,2'-cyclohexa-2,5-diene-1,4-
Synonym: Pyrimidin-2-amine hemikis(tetracyanoquinodimethane)
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.41
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEWDOQ05
Authors/Journal
Authors: V.G.Saraswatula, M.A.Bhat, S.Bhattacharya, B.K.Saha
Chemical
Formula: 2(C21 H12 Br3 N3 O3),C12 H18
Name: bis(2,4,6-tris(4-bromophenoxy)-1,3,5-triazine)
hexamethylbenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.31
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEXQOE
Authors/Journal
Authors: A.Ranganathan, V.R.Pedireddi, G.Sanjayan, K.N.Ganesh,
C.N.R.Rao
Chemical
Name: bis(Cyanuric acid) 4,4'-bipyridyl
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.25
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VEXQUK
Authors/Journal
C.N.R.Rao
Chemical
Name: Cyanuric acid 4,4'-bipyridyl
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.77
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VEXWUQ
Authors/Journal
C.N.R.Rao
Chemical
Name: N-Methylcyanuric acid 4,4'-bipyridyl
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.33
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VEYLIX
Authors/Journal
Authors: V.Kumar, P.K.Goswami, R.Thaimattam, A.Ramanan
Chemical
Name: bis(2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid)
4,4'-(ethane-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.83
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VEYLUJ
Authors/Journal
Authors: V.Kumar, P.K.Goswami, R.Thaimattam, A.Ramanan
Chemical
Name: 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid 4,4'-
(propane-1,3-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.44
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIBXOT
Authors/Journal
Authors: P.R.Markies, G.Schat, O.S.Akkerman, F.Bickelhaupt,
W.J.J.Smeets, P.van der Sluis, A.L.Spek
Chemical
Formula: C36 H44 Mg2 O2,2(C22 H30 Mg1 O2)
Name: bis((mu!2$-p-Tolyl-C$1!,C$1!)-p-tolyl-tetrahydrofuran-
magnesium) trans-bis(p-tolyl-tetrahydrofuran)-magnesium
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.07
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: C-H bond lengths are constrained to 0.98A
REFCODE: VIDHOG
Authors/Journal
Authors: N.Arulsamy, D.S.Bohle, E.Hoen
Chemical
Name: N,N,N',N'-Tetramethylethane-1,2-diamine N-
hydroxybenzenesulfonamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VIFFEV
Authors/Journal
Authors: G.Bocelli, L.Cardellini, G.de Meo, A.Ricci, C.Rizzoli, G.Tosi
Chemical
Formula: C14 H9 N1 S1,C6 N4
Name: 10H-(1)Benzothieno(3,2-b)indole tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VIGFAT
Authors/Journal
Authors: N.J.Babu, L.S.Reddy, A.Nangia
Chemical
Name: Barbituric acid quinoxaline-N,N'-dioxide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIGFEX
Authors/Journal
Chemical
Formula: 0.5(C4 H4 N2 O3),C6 H7 N1 O1
Name: hemikis(Barbituric acid) 4-methylpyridine-N-oxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIGFIB
Authors/Journal
Chemical
Name: Barbituric acid hemikis(pyrazine-N,N'-dioxide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIGFUN
Authors/Journal
Chemical
Name: Pyridine-N-oxide barbital
Synonym: Pyridine-N-oxide 5,5-diethylbarbituric acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.98
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIGFUO01
Authors/Journal
Authors: E.B.Coropceanu, L.Croitor, A.V.Siminel, Y.Chumakov, M.S.Fonari
Chemical
Name: bis(N,N'-dihydroxycyclohexane-1,2-diimine) 4-(2-(pyridin-4-
yl)ethyl)pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIGGEY
Authors/Journal
Chemical
Name: 4-Hydroxybenzamide 4,4'-bipyridine-N,N'-dioxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIGGOI
Authors/Journal
Chemical
Name: Carbamazepine quinoxaline-N,N'-dioxide
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.48
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIGGUO
Authors/Journal
Chemical
Name: Carbamazepine hemikis(pyrazine-N,N'-dioxide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 13.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIGKIF
Authors/Journal
Authors: D.E.Zacharias, K.Prout, C.B.Myers, J.P.Glusker
Chemical
Name: Chrysene 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: deep orange
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VIGKUR
Authors/Journal
Chemical
Name: 2-Methylchrysene 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VIGLEC
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: brown-orange
Extra Information:
Experimental
R-Factor (%): 10.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VIGLOM
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VIGNII
Authors/Journal
Authors: I.Tordjman, A.Durif, R.Masse
Chemical
Name: bis(1,2-Dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one)
phosphoric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VIGTAG
Authors/Journal
Authors: M.Catellani, W.Porzio
Chemical
Name: Dithieno(3,4-b;3'-4'-d)thiophene tetracyanoquinodimethane
Synonym:
Source:
Melting Point: 479.5-481K(dec.)
Colour: dark green
Extra Information:
Experimental
R-Factor (%): 8.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: N2,H4,H8,H13,H14,H16,H17 amended by the author
REFCODE: VIGVOW
Authors/Journal
Authors: M.Ghosh, A.K.Basak, S.K.Mazumdar, B.Sheldrick
Chemical
Name: p-Isopropoxy-N-sulfanilylbenzamide 3,7-dihydro-1,3,7-
trimethyl-1H-purine-2,6-dione
Synonym: Sulfaproxyline caffeine
Source:
Melting Point:
Extra Information: antibiotic (sulfaproxyline) and CNS, cardiac muscle and
respiratory stimulative activity (caffeine)
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VIGWIS
Authors/Journal
Authors: K.C.Nicolaou, Hongjun Zhang, J.S.Chen, J.J.Crawford,
L.Pasunoori
Chemical
Name: (26R*)-Uncialamycin ethyl acetate
Synonym:
Source:
Melting Point: decomposes at 175 deg.C
Colour: purple
Extra Information: potent plasmid DNA cleavage; phenomenal in vitro activity
against Staphylococcus aureus, Escherichia coli and Burkholderia cepacia
Experimental
R-Factor (%): 9.19
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIHGOI
Authors/Journal
Authors: G.Bocelli, A.Cantoni, E.Giorgini, G.Tosi
Chemical
Name: 2-Phenylquinoline-1-oxide 7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VIHKUU
Authors/Journal
Authors: B.M.Yamin, H.F.Salem, S.F.M.Yusoff
Chemical
Formula: C7 H7 F1 N2 S1,C12 H8 N2
Name: (4-Fluorophenyl)thiourea 1,10-phenanthroline
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.09
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIHMOQ
Authors/Journal
Authors: Hong-Mei Li, Zhi-Qiang Wang, Chen Xu
Chemical
Formula: C20 H13 Br1,0.5(C14 H8 O2)
Name: 9,10-Anthraquinone 9-bromo-10-phenylanthracene
Synonym: PDB Chemical Component code: 9TA
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.49
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIJTIR
Authors/Journal
Authors: T.C.W.Mak, Chen Xiaoming, Shi Kailiang, Yao Jiaxing, Zheng
Chaode
Chemical
Name: Hexamethylenetetramine phenylacetic acid
Synonym: 1,3,5,7-Tetra-aza-adamantane phenylacetic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VIJYES
Authors/Journal
Authors: S.T.Malinovskii, E.V.Ganin, Yu.A.Simonov, V.F.Makarov
Journal: Izv.Akad.Nauk Mold.SSR.Ser.Fiz.-Tek.Mat.Nauk(Russ.)
(Bull.Acad.Sci.Moldova,Phys.Eng.Math.Sci.) , , 22-1, 1989
Chemical
Name: 18-Crown-6 4-aminobenzosulfamide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Dx given as 1.277, we find 1.35
REFCODE: VILFIF
Authors/Journal
Authors: I.V.Bulgarovskaya, V.E.Zavodnik, V.K.Bel'skii,
V.M.Vozzhennikov
Chemical
Formula: 3(C10 H2 O6),2(C12 H7 Br2 N1)
Name: tris(Pyromellitic dianhydride) bis(3,6-dibromocarbazole)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: z(N) is 0.8234 not 0.8324
REFCODE: VIMLOU
Authors/Journal
Authors: T.Olszewska, A.Sikorski, A.Herman, T.Polonski
Chemical
Formula: 2(C31 H30 O4),C26 H24 N2 Se2
Name: 2,3,4,7,8,9-Hexahydro-1,10-phenanthroline-1,10-
diylbis(phenylmethaneselone) bis((2,2-dimethyl-1,3-dioxolane-4,5-
diyl)bis(diphenylmethanol))
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.17
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIMMEL
Authors/Journal
Authors: T.Olszewska, A.Sikorski, A.Herman, T.Polonski
Chemical
Formula: 2(C31 H30 O4),C26 H24 N2 S2
Name: 2,3,4,7,8,9-Hexahydro-1,10-phenanthroline-1,10-
diylbis(phenylmethanethione) bis((2,2-dimethyl-1,3-dioxolane-4,5-
diyl)bis(diphenylmethanol))
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.74
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIPQIV
Authors/Journal
Authors: D.Youssef, C.E.Nichols, T.S.Cameron, J.Balzarini, E.De Clercq,
A.Jha
Chemical
Name: 2-(1-Hydroxy-3-(4-methylphenyl)prop-2-en-1-ylidene)-6-(4-
methylbenzylidene)cyclohexanone 2-(1-oxo-3-(4-methylphenyl)prop-2-en-1-yl)-6-(4-
methylbenzylidene)cyclohex-1-enol
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information: Weak cytostatic activity against murine leukemia L1210 and
human lymphoblast Molt 4C/8 and CEM systems
Experimental
R-Factor (%): 5.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIPVIB
Authors/Journal
Authors: A.Thirunavukkarasu, A.Silambarasan, G.Chakkaravarthi,
R.Mohankumar, P.R.Umarani
Chemical
Name: Benzotriazole P-hydroxy benzoate
Synonym: PDB Chemical Component code: 0CT
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.07
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIVBIL
Authors/Journal
Authors: T.W.Bell, F.Guzzo, M.G.B.Drew
Chemical
Formula: C28 H18 F6 N6 O6 S2 Sr1,C28 H20 F6 N6 O7 S2 Sr1
Name: (Dibenzo-hexa-azatricyclo(7.3.1.1$8,12!)tetracosa-
1(23),4,8(24),9,11,15,19,21-octaene)-bis(trifluoromethanesulfonato)-strontium aqua-
(4,5:15,16-dibenzo-3,6,14,17,23,24-hexa-azatricyclo(7.3.1.1$8,12!)tetracosa-
1(23),4,8(24),9,11,15,19,21-octaene)-bis(trifluoromethanesulfonato)-strontium
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VIVBIL01
Authors/Journal
Authors: F.Benetollo, G.Bombieri, K.K.Fonda, A.Polo, J.R.Quagliano,
L.M.Vallarino
Chemical
Formula: C28 H18 F6 N6 O6 S2 Sr1,C28 H20 F6 N6 O7 S2 Sr1
Name: (bis(Pyridine-2,6-dicarboxaldehyde)-bis(1,2-diaminobenzene)-
N,N',N'',N''',N'''',N''''')-bis(trifluoromethanesulfonato-O)-strontium(ii) aqua-
(bis(pyridine-2,6-dicarboxaldehyde)-bis(1,2-diaminobenzene)-
N,N',N'',N''',N'''',N''''')-bis(trifluoromethanesulfonato-O)-strontium(ii)
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: All the coordinates in table V which have esd=1 are x10$3! not
x10$4!
REFCODE: VIXWIL
Authors/Journal
Chemical
Formula: C12 H7 Br1 N2,C6 F3 I3
Name: 2-bromo-1,10-phenanthroline 1,3,5-trifluoro-2,4,6-
triiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIXWOR
Authors/Journal
Chemical
Name: 2-methyl-1,10-phenanthroline 1,3,5-trifluoro-2,4,6-
triiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.92
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIXWUX
Authors/Journal
Chemical
Formula: C12 H7 Cl1 N2,C6 F3 I3
Name: 2-chloro-1,10-phenanthroline 1,3,5-trifluoro-2,4,6-
triiodobenzene
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.19
Temperature: 287
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIXXAE
Authors/Journal
Chemical
Name: 2,9-dimethyl-1,10-phenanthroline 1,3,5-trifluoro-2,4,6-
triiodobenzene
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 5.08
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VIZKEU
Authors/Journal
Authors: A.N.Chekhlov, A.N.Bovin, E.N.Tsvetkov
1990
Chemical
Formula: C8 H11 Cl1 N1 O3 P1,C4 H8 O2
Name: (o-Hydroxyphenylaminomethyl)chloromethylphosphinic acid
dioxane
Synonym:
Source:
Colour:
Extra Information: potential physiological activity; Unstable and readily
decomposes
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VOCHIE
Authors/Journal
Chemical
Name: Indole-3-acetic acid bis(pyridin-2(1H)-one)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.89
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VOCHOK
Authors/Journal
Chemical
Name: Indole-3-acetic acid 3,5-dinitrobenzoic acid
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 8.41
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VOCJAY
Authors/Journal
Chemical
Name: Indole-3-acetic acid 1,3,5-trinitrobenzene
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.53
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VOCZET
Authors/Journal
Authors: S.Goswami, S.Jana, A.Hazra, Hoong-Kun Fun, S.Chantrapromma
Chemical
Name: 2-Amino-4,6-dimethylpyrimidine benzoic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.25
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VOCZET01
Authors/Journal
Authors: T.S.Thakur, G.R.Desiraju
Chemical
Name: 2-Amino-4,6-dimethylpyrimidine benzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.72
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOCZET02
Authors/Journal
Authors: A-Lan Meng, Jun-E Huang, Bin Zheng, Zhen-Jiang Li
Chemical
Name: 2-Amino-4,6-dimethylpyrimidine benzoic acid co-crystal
Synonym: 2-Amino-4,6-dimethylpyrimidine benzoic acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.26
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOCZET04
Authors/Journal
Authors: P.Muthuraja, T.Shanmugavadivu, S.Balachandar, M.Sethuram,
M.Dhandapani
Chemical
Name: 4,6-dimethylpyrimidin-2-amine benzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VODCOH
Authors/Journal
Authors: Ling Qiu, Wenxin Li, Xiaowei Fan, Xuehai Ju, Guoxian Cao,
Shineng Luo
Chemical
Name: 2,3,4,5-tetrakis(4-Pyridyl)thiophene benzene-1,2,4,5-
tetracarboxylic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information: luminescent
Experimental
R-Factor (%): 5.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOHKAG
Authors/Journal
Xuefeng Mei
Chemical
Formula: C12 H12 N2 O2 S1,2(C6 H8 N2 O2 S1)
Name: bis(4-aminobenzenesulfonamide) 4,4'-sulfonyldianiline
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.05
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOHKEK
Authors/Journal
Xuefeng Mei
Chemical
Name: 2-phenyl-4H-chromen-4-one 4,4'-sulfonyldianiline
Synonym: Flavone dapsone
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.04
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOHKEK01
Authors/Journal
Authors: Hongyan He, Linglei Jiang, Qi Zhang, Ying Huang, Jian-Rong
Wang, Xuefeng Mei
Chemical
Name: 2-Phenyl-4H-chromen-4-one 4,4'-sulfonyldianiline
Synonym: Flavone dapsone
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.86
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOHKOU
Authors/Journal
Xuefeng Mei
Chemical
Name: 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione 4,4'-
sulfonyldianiline
Synonym: caffeine dapsone
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.88
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOHKUA
Authors/Journal
Xuefeng Mei
Chemical
Name: 1,3-benzothiazol-2(3H)-one 4,4'-sulfonyldianiline
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.43
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOHWUL
Authors/Journal
Authors: Jian-Hua Qin, Xiao-Dong Li, Jian-Ge Wang
Chemical
Name: Di-4-pyridyl sulfide isophthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.0
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOJHAE
Authors/Journal
Authors: G.Li, C.Salim, H.Hinode
Chemical
Name: 1,3-Di-4-pyridylpropane 4,4'-oxydibenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.16
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOJHAE01
Authors/Journal
Authors: Wen-Wen Dong, Dong-Sheng Li, Jun Zhao, Long Tang, Xiang-Yang
Hou
Chemical
Name: 1,3-bis(4-Pyridyl)propane 4,4'-oxydibenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.35
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOJKEN
Authors/Journal
Authors: J.B.Baruah, K.Shankar
Chemical
Name: 3-(carboxymethoxy)benzoic acid 1,3-dimethyl-3,7-dihydro-1H-
purine-2,6-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOJKIR
Authors/Journal
Authors: J.Baruah, K.Shankar
Chemical
Name: 3-(carboxymethoxy)benzoic acid isonicotinamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.62
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOJKOX
Authors/Journal
Chemical
Name: 2,2'-(naphthalene-2,7-diylbis(oxy))diacetic acid 1,3,7-
trimethyl-3,7-dihydro-1H-purine-2,6-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.19
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOJKUD
Authors/Journal
Chemical
Name: 2,2'-(naphthalene-2,7-diylbis(oxy))diacetic acid 4,4'-propane-
1,3-diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.98
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOJREU
Authors/Journal
Authors: J.B.Baruah, B.Nath
Chemical
Formula: C27 H27 N1 O8,1.5(C10 H8 N2)
Name: 2,2'-(((2-nitrophenyl)methylene)bis((2,6-dimethyl-4,1-
phenylene)oxy))diacetic acid sesquikis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 15.17
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOJRIY
Authors/Journal
Authors: J.B.Baruah, B.Nath
Chemical
Name: 2,2'-(((2-nitrophenyl)methylene)bis((4,6-dimethyl-2,1-
phenylene)oxy))diacetic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.34
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOMHOX
Authors/Journal
Authors: Jia-Rui Wu, Ying-Wei Yang
Chemical
Name: 4,6,10,12,21,23,27,29,37,38,41,42-
dodecamethoxyheptacyclo[30.2.2.2$15,18!.1$3,7!.1$9,13!.1$20,24!.1$26,30!]dotetracon
ta-1(34),3(42),4,6,9(41),10,12,15,17,20(38),21,23,26(37),27,29,32,35,39-octadecaene
tetrakis(1,3-dioxane)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOMTOI
Authors/Journal
Authors: M.Ahmadia, A.Fasihizada, B.Machurab, R.Kruszynski, S.Barak
Chemical
Formula: C11 H15 N3 O1 S1,H1 I1
Name: ethyl N'-(1-(2-
hydroxyphenyl)ethylidene)carbamohydrazonothioate hydroiodide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.32
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOPCOU
Authors/Journal
Chemical
Name: (1S,10aS,12aS)-1,10a,12a-trimethyl-
1,2,3,3a,3b,4,5,5a,6,8,10,10a,10b,11,12,12a-
hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol malonic acid
Synonym: Stanozolol malonic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.56
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOPCUA
Authors/Journal
Chemical
Name: (1S,10aS,12aS)-1,10a,12a-Trimethyl-
1,2,3,3a,3b,4,5,5a,6,7,10,10a,10b,11,12,12a-
hexadecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-ol 6-hydroxy-2-naphthoic acid
Synonym: Stanozolol 6-hydroxy-2-naphthoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOQCUC
Authors/Journal
Authors: Ryo Sanada, Dongho Yoo, R.Sato, K.Iijima, T.Kawamoto, T.Mori
Chemical
Name: 2,2'-(2,5-dimethylcyclohexa-2,5-diene-1,4-
diylidene)dipropanedinitrile pyrene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.42
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOQDAJ
Authors/Journal
Authors: Ryo Sanada, Dongho Yoo, R.Sato, K.Iijima, T.Kawamoto, T.Mori
Chemical
pyrene
Synonym:
Source:
Melting Point:
Colour: green
Extra Information:
Experimental
R-Factor (%): 5.55
Temperature: 299
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VORCOV
Authors/Journal
Authors: Xiao-Li Gao, Li-Ping Lu, Miao-Li Zhu
Chemical
Name: 2,2'-Bi(1H-imidazole) succinic acid
Synonym: 1H,1'H-2,2'-Biimidazole butanedioic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VORDAI
Authors/Journal
Authors: Zhen-Hua Wu, Jian-Ping Ma, Xiang-Wen Wu, Ru-Qi Huang, Yu-Bin
Dong
Chemical
Name: 4-(1-((4-(Dimethylamino)benzylidene)hydrazono)ethyl)benzene-
1,3-diol 6-(1-((4-(dimethylamino)benzylidene)hydrazino)ethylidene)-3-
hydroxycyclohexa-2,4-dien-1-one
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.18
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes: The paper quotes the unit cell with the angle beta =
108.067(8)
REFCODE: VORLOE
Authors/Journal
Authors: Dan-Jun Wang, Jun-Ming Zhao, Jie Zhang, Jian-Li Lin
Chemical
Name: (P)-4,4'-Dipyridyl disulfide isophthalic acid
Synonym: (P)-4,4'-Disulfanediyldipyridine benzene-1,3-dicarboxylic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.34
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOVRAB
Authors/Journal
Authors: Jian-Rong Wang, Xueping Yu, Chun Zhou, Yunfei Lin, Chen Chen,
Guoyu Pan, Xuefeng Mei
Chemical
Name: Isonicotinamide 1,7-dihydro-6H-purine-6-thione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.08
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VOXWAI
Authors/Journal
Authors: Hui-Fen Qian, Yin-Ge Wang, Jiao Geng, Wei Huang
Chemical
Name: 5-((2,3-Dimethylphenyl)hydrazono)-1-ethyl-4-methyl-2,6-dioxo-
1,2,5,6-tetrahydropyridine-3-carbonitrile 5-((2,3-dimethylphenyl)hydrazono)-1,4-
dimethyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.45
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VUCCAX
Authors/Journal
Authors: R.M.Fuquen, J.R.Lechat
Chemical
Name: Triphenylphosphine oxide 4-nitrophenol
Synonym:
Source:
Melting Point: 376K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.89
Temperature: 295
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VUGMIT
Authors/Journal
Authors: M.R.Caira
Chemical
Name: (4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide)
acetylsalicylic acid
Synonym: Sulfadimidine acetylsalicylic acid; Sulfamethazine aspirin
Source:
Melting Point:
Colour: colorless
Extra Information: aspirin has pharmacological acitivity as an analgesic with
antiinflammatory and antipyretic activity; Sulfamethazine is a sulfonamide
antibacterial agent
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VUGMOZ
Authors/Journal
Authors: M.R.Caira
Chemical
Name: (4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide) 4-
aminosalicylic acid
Synonym: Sulfadimidine 4-aminosalicylic acid; Sulfamethazine 4-
aminosalicylic acid
Source:
Melting Point:
Colour: brown
Extra Information: tuberculostatic activity
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VUHKEO
Authors/Journal
Authors: K.Sugiura, J.Toyado, H.Okamoto, K.Okaniwa, T.Mitani,
A.Kawamoto, J.Tanaka, K.Nakasuji
Chemical
Name: Benzoquinone bis(4-hydroxyphenyl)disulfide
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.5
Temperature: 295
Density (CCDC): 1.5
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VUKDOU01
Authors/Journal
Authors: R.D.Bailey, M.L.Buchanan, W.T.Pennington
Chemical
Name: Tetramethylpyrazine iodine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VULLIZ
Authors/Journal
Chemical
Name: bis(Pyridine-2-carbothioamide) 1,4 di-iodotetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.37
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VULTEC
Authors/Journal
Authors: A.Karmakar, D.Kalita, J.B.Baruah
Chemical
Name: N-(2-(4-Methoxyphenyl)ethyl)-2-(quinolin-8-yloxy)acetamide
benzene-1,4-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.87
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VUPSIL
Authors/Journal
Authors: H.A.M.Radwan, H.K.A.El-Mawgoud, F.El Mariah, A.M.ElAgrody,
A.E.Amr, M.A.Al-Omar, H.A.Ghabbour
Chemical
Formula: C22 H18 Cl1 N1 O4,C12 H10 Cl1 N1 O2
Name: ethyl 3-amino-1-(4-chlorophenyl)-9-hydroxy-1H-naphtho[2,1-
b]pyran-2-carboxylate ethyl 3-(4-chlorophenyl)-2-cyanoprop-2-enoate
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.35
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VUQVUZ
Authors/Journal
Authors: Xiuling Zhang, Baoyong Zhu, Feng Guo
Journal: Asian J.Chem. , 21, 7072, 2009
Chemical
Name: 5-Aminoisophthalic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.07
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VUTNAB
Authors/Journal
Authors: S.H.Thorat, S.K.Sahu, R.G.Gonnade
Chemical
Name: Pyrazine-2-carboxamide 4-aminobenzoic acid
Synonym: Pyrazinamide 4-aminobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information: Pyrazinamide is an anti-tuberculosis drug
Experimental
R-Factor (%): 3.66
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VUXRAI
Authors/Journal
Chemical
Name: bis(1,2,5-Thiadiazole-3,4-dicarboxylic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.35
Temperature: 296
Intensity Meas: 3
Disorder:
Extra Information: pseudo-merohedral twin; at 296 K
CCDC Notes:
REFCODE: VUXXET
Authors/Journal
Authors: Y.Tabuchi, K.Gotoh, H.Ishida
Chemical
Formula: C12 H12 N2,2(C10 H12 O3)
Name: 4-propoxybenzoic acid 4,4'-ethane-1,2-diyldipyridine
Synonym: bis(4-n-propoxybenzoic acid) 1,2-bis(4-pyridyl)ethane
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VUYVIV
Authors/Journal
Authors: Xin Liu, Weiqun Zhu
Chemical
Name: 4-Nitrobenzoic acid hemikis(1H,1'H-2,2'-biimidazole)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VUZCIC
Authors/Journal
Authors: W.H.Watson, A.Nagl, E.Eduok
Chemical
Name: Diaza-18-crown-6 2,7-dihydroxynaphthalene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.57
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VUZCOI
Authors/Journal
Authors: W.H.Watson, A.Nagl, E.Eduok
Chemical
Name: Diaza-18-crown-6 bis(2,7-dihydroxynaphthalene)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.93
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: VUZMEJ
Authors/Journal
Authors: Jian-Qiang Liu
Chemical
Name: 4,4'-Bipyridine cyclohexane-1,2,4,5-tetracarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.73
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VUZNIO
Authors/Journal
Authors: Fwu Ming Shen, Shie Fu Lush
Chemical
Name: 4-Aminobenzoic acid 4,4'-(propane-1,3-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.43
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WABGEL
Authors/Journal
Authors: G.Bandoli, G.Lunardi, D.A.Clemente
Chemical
Name: 2,2'-bis(1,3-Dithiole) 1,2,4,5-tetracyanobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WABWEB
Authors/Journal
Authors: H.Hoier, D.E.Zacharias, H.L.Carrell, J.P.Glusker
Chemical
Name: 1,8:4,5-Naphthalenetetracarboxylic acid dianhydride anthracene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WACDEN
Authors/Journal
Authors: I.Andrusenko, J.Potticary, S.R.Hall, M.Gemmi
1036, 2020
Chemical
Name: 2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b]
[1,5]benzodiazepine phenol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 31.4
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: electron; electron diffraction; 293 K
CCDC Notes: electron diffraction
REFCODE: WACSAW
Authors/Journal
Authors: H.Kargar, R.Kia, M.N.Tahir
Chemical
Name: 5,5'-bis(Diethylamino)-2,2'-(4,5-dimethyl-o-
phenylenebis(nitrilomethylidyne))diphenol (Z)-3-diethylamino-6-(((2-((E)-4-
(diethylamino)-2-hydroxybenzylideneamino)-4,5-
dimethylphenyl)amino)methylidene)cyclohexa-2,4-dienone
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 10.61
Temperature: 296
Intensity Meas: 3
Disorder:
Extra Information: non-merohedral twin; at 296 K
CCDC Notes:
REFCODE: WACVED
Authors/Journal
Authors: Xiaoli Gao, Miaoli Zhu
Chemical
Name: bis(Benzoic acid) 2,2'-biimidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.79
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WADQIF
Authors/Journal
Authors: T.Ayudhya, C.Raymond, N.Dingra
Chemical
Formula: C15 H22 B1 N5 O3,C8 H9 N1 O2
Name: [(4-acetamidophenoxy)carbonyl](dihydrido)(1,3,5,7-
tetraazatricyclo[3.3.1.1$3,7!]decane)boron N-(4-hydroxyphenyl)acetamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAFFUG
Authors/Journal
Authors: Xian-Rong Jiang, Xiao-Juan Wang, Yun-Long Feng
Chemical
Name: 4,4'-Bipyridine 2-(carboxymethylsulfanyl)pyridine-3-carboxylic
acid
Synonym: 2-((Carboxymethyl)sulfanyl)nicotinic acid 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAGDER
Authors/Journal
Authors: C.OMalley, C.Bouchet, G.Manyara, N.Walsh, P.McArdle,
A.Erxleben
Chemical
Name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine piperidine-
2,6-dione
Synonym: pyrimethamine glutarimide
Source:
Melting Point:
Colour: colorless
Extra Information: pyrimethamine is an anti-malarial drug
Experimental
R-Factor (%): 5.26
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAGRAY
Authors/Journal
Authors: A.I.Oliva, L.Simon, F.M.Muniz, F.Sanz, C.Ruiz-Valero,
J.R.Moran
Chemical
Name: (5aS*,6R*,11aR*)-N-(4-Dimethylaminophenyl)-4-(5,7-di-t-butyl-
1,3-benzoxazol-2-amino)-2-chloro-6-hydroxy-6,6a,10a,11,11a,12-hexahydro-5aH-
benzo(b)xanthene-5a-carboxamide N-3,5-dinitrobenzoyl-L-alanine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 14.76
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAHGIZ
Authors/Journal
Authors: M.K.Chaitanya Mannava, A.Gunnam, A.Lodagekar, N.R.Shastri,
A.K.Nangia, K.Anand Solomon
Chemical
Name: nicorandil hemikis(subaric acid)
Synonym:
Source:
Colour: white
Extra Information: nicorandil is a niacinamide vitamin derivative used to treat
angina pectoris
Experimental
R-Factor (%): 6.06
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAJGIX
Authors/Journal
Authors: A.N.Chekhlov, S.A.Lermontov, S.I.Zavorin, N.S.Zefirov
Journal: Dokl.Akad.Nauk SSSR(Russ.)(Proc.Nat.Acad.Sci.USSR) , 323,
1112, 1992
Chemical
Formula: 0.95(C14 H12 F2),0.05(C14 H12)
Name: meso-1,2-Difluoro-1,2-diphenylethane trans-stilbene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WAJVOU
Authors/Journal
Authors: Gui-Ge Hou, Jian-Ping Ma, Le Wang, Ping Wang, Yu-Bin Dong, Ru-
Qi Huang
Chemical
Name: 4,4'-(1,3,4-Oxadiazole-2,5-diylidene)dipyridin-1(4H)-ol
benzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAJVUA
Authors/Journal
Qi Huang
Chemical
Name: 3-Hydroxybenzoic acid 4,4'-(1,3,4-oxadiazole-2,5-
diylidene)dipyridin-1(4H)-ol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.06
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAJWAH
Authors/Journal
Qi Huang
Chemical
Name: 3,4-Dihydroxybenzoic acid 4,4'-(1,3,4-oxadiazole-2,5-
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.64
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAJWEL
Authors/Journal
Qi Huang
Chemical
Name: 3-Aminobenzoic acid 4,4'-(1,3,4-oxadiazole-2,5-
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.36
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAJXAI
Authors/Journal
Qi Huang
Chemical
Name: 3,4,5-Trihydroxybenzoic acid 4-(5-(pyridin-4-yl)-1,3,4-
oxadiazol-2-yl)-1lambda$5!-pyridin-1-ol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.15
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAKJUR
Authors/Journal
Authors: K.Wzgarda-Raj, M.Palusiak, S.Wojtulewski, A.J.Rybarczyk-Pirek
Chemical
Name: 1,3,5-triazinane-2,4,6-trithione pyridine N-oxide
Synonym: trithiocyanuric acid pyridine N-oxide
Source:
Melting Point:
Colour: colorless
Extra Information: Thione tautomer
Experimental
R-Factor (%): 2.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WANDEV
Authors/Journal
Chemical
Name: Benzene-1,3,5-tricarboxylic acid 2,5-bis(4-pyridyl)-1,3,4-
oxadiazole
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WANNUV01
Authors/Journal
Authors: C.Wilhelm, S.A.Boyd, S.Chawda, F.W.Fowler, N.S.Goroff,
G.P.Halada, C.P.Grey, J.W.Lauher, Liang Luo, C.D.Martin, J.B.Parise, C.Tarabrella,
J.A.Webb
Chemical
Formula: C14 H14 N4 O2,C4 I2
Name: N,N'-bis(Pyridin-4-ylmethyl)ethanediamide di-iodobutadiyne
Synonym:
Source:
Melting Point:
Colour: blue
Extra Information: The crystal was subjected to pressure of 3GPa before X-ray
diffraction analysis
Experimental
R-Factor (%): 4.05
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes: The authors state the blue colour of the crystals shows some
polymerisation of the butadiyne has taken place. However this is not evident from
single crystal X-ray analysis
REFCODE: WAPXOA
Authors/Journal
Authors: Ji Yang, E.Fan, S.J.Geib, A.D.Hamilton
Chemical
Name: 1,3-bis(6-Methylpyrid-2-yl)isophthalic acid diamide biphenyl-
3,3'-dicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.39
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Cyclic 2 plus 2 aggregate by H-bonding
REFCODE: WAQZOG
Authors/Journal
Authors: A.Samie, G.R.Desiraju, M.Banik
Chemical
Name: N-(hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl)-4-
methylbenzenesulfonamide benzene-1,2-diol
Synonym: Gliclazide Catechol
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.19
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WAQZUM
Authors/Journal
Authors: A.Samie, G.R.Desiraju, M.Banik
Chemical
Name: N-(hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl)-4-
methylbenzenesulfonamide benzene-1,3-diol
Synonym: Gliclazide Resorcinol
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WARNOV
Authors/Journal
Authors: G.Campillo-Alvarado, C.A.Staudt, M.J.Bak, L.R.MacGillivray
Chemical
Formula: C10 H8 N2,2(C7 H6 B1 F1 O2)
Name: bis(5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole) 4,4'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.13
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WARNUB
Authors/Journal
Chemical
Name: bis(5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole) 1,2-
bis(4-pyridyl)ethylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.74
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WARPAJ
Authors/Journal
Chemical
Name: bis(5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole) 1,2-
bis(4-pyridyl)ethane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.67
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WARPEN
Authors/Journal
Chemical
Name: 5-fluoro-1,3-dihydro-1-hydroxy-2,1-benzoxaborole
isonicotinamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.68
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WARPIP
Authors/Journal
Authors: Wen-Jwu Wang, Jau-Shuenn Wang
Chemical
Name: bis(3,6-bis(3'-Pyridyl)-1,2,4,5-tetrazine) trimesic acid
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WARVIV
Authors/Journal
Authors: J.Beckmann, D.Dakternieks, A.Duthie, N.A.Lewcenko, C.Mitchell,
M.Schurmann
Chemical
Formula: C52 H48 O9 P2 Te2,2(C12 H11 O2 P1)
Name: (mu!2$-Oxo)-tetrakis(4-methoxyphenyl)-
bis(diphenylphosphinato)-di-tellurium diphenylphosphinic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WATREP01
Authors/Journal
Authors: M.Prager, A.Pietraszko, L.Sobczyk, A.Pawlukojc, E.Grech,
T.Seydel, A.Wischnewski, M.Zamponi
Chemical
Name: 2,3,5,6-Tetramethylpyrazine 2,5-dichloro-3,6-dihydroxy-1,4-
benzoquinone
Synonym: 2,3,5,6-Tetramethylpyrazine chloranilic acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WATREP04
Authors/Journal
Authors: M.Prager, A.Pietraszko, L.Sobczyk, A.Pawlukojc, E.Grech,
T.Seydel, A.Wischnewski, M.Zamponi
Chemical
Formula: C8 H12 N2,C6 D2 Cl2 O4
Name: 2,3,5,6-Tetramethylpyrazine 2,5-dichloro-3,6-bis(deuteroxy)-
1,4-benzoquinone
Synonym: 2,3,5,6-Tetramethylpyrazine dideutero-chloranilic acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.09
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: The space group is published as P21/c with the cell lengths a
and c transposed
REFCODE: WAVWIA
Authors/Journal
Authors: Lian-You Li, Zhi-Ming Zhou, Qiao Xu, Cong-Xuan Yu
Chemical
Name: 2-t-Butylphenol 3-t-butylsalicylaldehyde
Synonym:
Source:
Melting Point:
Colour: cyan
Extra Information:
Experimental
R-Factor (%): 5.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEDKUN
Authors/Journal
Authors: C.B.Aakeroy, P.D.Chopade, C.Ganser, A.Rajbanshi, J.Desper
Chemical
Name: Pentanedioic acid pyrazin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEDWUA
Authors/Journal
Authors: D.Choquesillo-Lazarte, V.Nemec, D.Cincic
Chemical
Formula: 2(C14 H22 N2 O1),C6 Br2 F4
Name: bis(N-(2,6-dimethylphenyl)-N$2!,N$2!-diethylglycinamide) 1,4-
dibromo-2,3,5,6-tetrafluorobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEDXAH
Authors/Journal
Chemical
Name: bis(N-(2,6-dimethylphenyl)-N$2!,N$2!-diethylglycinamide)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.49
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEDXEL
Authors/Journal
Chemical
Name: bis(3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-
dione) 1,4-dibromo-2,3,5,6-tetrafluorobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEDXIP
Authors/Journal
Chemical
Name: 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dione
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEDXOV
Authors/Journal
Chemical
Name: bis(pyrazine-2-carboxamide) 1,4-dibromo-2,3,5,6-
tetrafluorobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEDXUB
Authors/Journal
Chemical
Name: bis(pyrazine-2-carboxamide) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEFKID
Authors/Journal
Chemical
Name: 5-Aminoisophthalic acid quinazolin-4(3H)-one
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.25
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEFKOJ
Authors/Journal
Chemical
Name: 5-Aminoisophthalic acid isoquinoline
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.96
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEGTOU
Authors/Journal
Chemical
Name: acetamide N,N'-dihydroxybutane-2,3-diimine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEGTUA
Authors/Journal
Chemical
Formula: C12 H8 N2,0.5(C4 H8 N2 O2)
Name: hemikis(N,N'-dihydroxybutane-2,3-diimine) 1,10-phenanthroline
Synonym: hemikis(dimethylglyoxime) 1,10-Phenanthroline
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.35
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEGVAI
Authors/Journal
Chemical
Formula: 2(C13 H9 N1),C4 H8 N2 O2
Name: bis(N,N'-dihydroxybutane-2,3-diimine) acridine
Synonym: bis(Dimethylglyoxime) acridine
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEJHID
Authors/Journal
Authors: Jing Xiong, Mao-Lin Hu, Yun-Jun Lan, Shu-Fen Zhang
Chemical
Name: (((5-Fluoro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-
yl)acetyl)amino)acetic acid hemikis(4,4'-bipyridine)
Synonym: 2-(5-fluorouracil-1-acetyl)aminoacetic acid hemikis(4,4'-
bipyridine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.31
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEMHEB01
Authors/Journal
Authors: T.Inabe, K.Okaniwa, H.Ogata, H.Okamoto, T.Mitani, Y.Maruyama
Journal: Acta Chim.Hung. , 130, 537, 1993
Chemical
Name: 1,6-Pyrenediamine 7,7,8,8-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: dark purple
Extra Information:
Experimental
R-Factor (%): 4.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WENLOT
Authors/Journal
Authors: A.J.Cruz-Cabeza, M.Lestari, M.Lusi
Chemical
Name: 2,3-dihydroxybutanedioic acid 2-hydroxybutanedioic acid
Synonym: L-malic acid D-tartaric acid
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [NIVYOG]
Experimental
R-Factor (%): 4.7
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEPDIF
Authors/Journal
Authors: Lin-Heng Wei
Chemical
Name: Pyridine 4-hydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: efflorescent
Experimental
R-Factor (%): 5.65
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEPTAP
Authors/Journal
Authors: He Lin, Jian-Fu Chen, Shun-Guan Zhu, Hong-Zhen Li, Yong Huang
Journal: J.Energ.Mater. , 35, 95, 2017
Chemical
Name: 1,3,5,7-tetranitro-1,3,5,7-tetrazocane pyridine N-oxide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.21
Temperature: 296
Density (CCDC): 1.7
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEPTOB
Authors/Journal
Authors: S.Cruz, J.Quiroga, J.M.de la Torre, J.Cobo, J.N.Low,
C.Glidewell
Chemical
Formula: C17 H18 Br1 N3 O1,0.5(C9 H5 Br1 Cl1 N1)
Name: 3-(5-(4-Bromophenyl)-1H-pyrazol-3-ylamino)-5,5-
dimethylcyclohex-2-en-1-one hemikis((Z)-3-(4-bromophenyl)-3-chloroacrylonitrile)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WESCOP
Authors/Journal
Authors: R.Vulcano, Paolo Pengo, S.Velari, J.Wouters, A.De Vita,
P.Tecilla, D.Bonifazi
Chemical
Formula: C17 H22 N4 O2,C14 H19 N3 O2 Si1
Name: N,N'-(4-((trimethylsilyl)ethynyl)pyridine-2,6-diyl)diacetamide
6-((4-t-butylphenyl)diazenyl)-1-propylpyrimidine-2,4(1H,3H)-dione
Synonym:
Source:
Melting Point:
Colour: pink
Extra Information:
Experimental
R-Factor (%): 7.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEVYIF
Authors/Journal
Authors: F.Ponzini, R.Zagha, K.Hardcastle, J.S.Siegel
Chemical
Name: sym-tris(perfluorophenylethynyl)benzene sym-
triphenylethynylbenzene
Synonym: sym-tris(perfluorophenethynyl)benzene sym-
triphenethynylbenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.82
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WEWDUA
Authors/Journal
Authors: U.Neupane, R.N.Rai
Chemical
Name: 2-aminobenzoic acid 1,3-dinitrobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.69
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEXKEP
Authors/Journal
Authors: A.V.Dzyabchenko, I.V.Bulgarovskaya, V.E.Zavodnik
Chemical
Formula: 3(C10 H2 O6),2(C13 H9 Br2 N1)
Name: tris(Pyromellitic dianhydride) bis(N-methyl-3,6-
dibromocarbazole)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WEXQIA
Authors/Journal
Authors: A.Rivera, J.Rios-Motta, A.Hernandez-Barragan, P.Joseph-Nathan
Chemical
Name: 1,3,6,8-Tetra-azatricyclo(4.4.1.1$3,8!)dodecane hydroquinone
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.19
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEYROH
Authors/Journal
Authors: M.G.Kurella, L.G.Vorontsova, A.R.Amamchyan, V.A.Dorokhov
1992
Chemical
Formula: C9 H9 N5,H1 Cl1
Name: Z-(N-(1,2,4-Triazol-5-yl)benzamidine) hydrogen chloride
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WIBSEH
Authors/Journal
Authors: Jian Tong, Lei Yuan, Fang Guo, Zhong-Hua Wang, Lan Jin, Wen
Sheng Guo
Journal: Nat.Prod.Res. , 27, 32, 2013
Chemical
Formula: C30 H22 O2,2(C15 H26 O1)
Name: 1,1,6,6-Tetraphenylhexa-2,4-diyne-1,6-diol bis(2,2,6,8-
tetramethyltricyclo[5.3.1.0$3,8!]undecan-3-ol)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIDRUW
Authors/Journal
Authors: K.Harada, H.Someya, S.Zen
Chemical
Name: 11-Methyl-2H,3H,4H,8H-pyrimido(1',2':1,2)pyrido(4,3-b)indole
hydrogen p-toluenesulfonic acid
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Fw and dx reported as 393.50 and 1.306; we calculate 409.51
and 1.36
REFCODE: WIFZOC
Authors/Journal
Authors: D.Braga, S.d'Agostino, F.Grepioni
Chemical
Name: Cyclobutane-1,2,3,4-tetracarboxylic acid bis(4,4'-ethene-1,2-
diyldipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGBIZ
Authors/Journal
Authors: D.Braga, S.d'Agostino, F.Grepioni
Chemical
Name: Cyclobutane-1,2,3,4-tetracarboxylic acid 4,4'-ethane-1,2-
diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGNIL
Authors/Journal
Authors: A.Cruz-Enriquez, H.J.Peinado-Guevara, V.Reyes-Marquez,
H.Hopfl, J.J.Campos-Gaxiola
Chemical
Name: Cyclohexane-1,4-dicarboxylic acid pyridinium-4-olate
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.18
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGPIL
Authors/Journal
Authors: S.Kyushin, M.Ikarugi, S.Tsunakawa, Y.Izumi, M.Miyake, M.Sato,
H.Matsumoto, M.Goto
Chemical
Formula: C22 H30 Si2,C6 N4
Name: 1,1'-Bi(benzo(c)-1-isopropyl-1-silacyclopenta-3-enyl)
tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WIGQUB
Authors/Journal
Authors: N.Bedekovic, V.Stilinovic, T.Friscic, D.Cincic
Chemical
Name: morpholine 1,2,3,5-tetrafluoro-4,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.98
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGREM
Authors/Journal
Chemical
Name: 1,2,3,5-tetrafluoro-4,6-diiodobenzene 2,4,6-trimethylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.62
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGRUC
Authors/Journal
Chemical
Name: acridine 1,2,3,5-tetrafluoro-4,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.56
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGSEN
Authors/Journal
Chemical
Name: isoquinoline 1,2,3,5-tetrafluoro-4,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.55
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGSIR
Authors/Journal
Chemical
Name: 1,2,3,5-tetrafluoro-4,6-diiodobenzene pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.78
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGSOX
Authors/Journal
Chemical
Name: tris(phenazine) 1,2,3,5-tetrafluoro-4,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.79
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGSUD
Authors/Journal
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene pyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.64
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGTAK
Authors/Journal
Chemical
Name: piperazine 1,2,3,5-tetrafluoro-4,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.61
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGTEO
Authors/Journal
Chemical
Name: bis(quinoline) 1,2,3,5-tetrafluoro-4,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.51
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGTIS
Authors/Journal
Chemical
Name: quinoxaline 1,2,3,5-tetrafluoro-4,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.22
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGVAM
Authors/Journal
Chemical
Name: quinoxaline 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.98
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGVIU
Authors/Journal
Chemical
Name: 1,4-diazabicyclo[2.2.2]octane 1,2,3,5-tetrafluoro-4,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.97
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIGXEQ
Authors/Journal
Authors: Xi-An Chen, Xiao-Bo Huang, Hua-Yue Wu
Chemical
Formula: C10 H12 N4 O1 S1,C18 H15 O1 P1
Name: 4-Amino-5-(2-ethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-
thione triphenylphosphine oxide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.33
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIHDOJ
Authors/Journal
Chemical
Name: 3,5-dimethylpyridine 1,2,3,5-tetrafluoro-4,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.33
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIKTEP
Authors/Journal
Chemical
Name: 1,3,5-Trinitrobenzene 4-aminobenzoic acid
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WINDAB
Authors/Journal
Authors: S.Karthick, K.Thirupugalmani, V.Kannan, G.Shanmugam,
M.Krishnakumar, G.Vinitha, B.Sridhar, S.Brahadeeswaran
Chemical
Name: 4-(dimethylamino)benzaldehyde 4-nitrophenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.64
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WINTIW
Authors/Journal
Authors: S.Seth, H.Sur
Chemical
Formula: C6 H8 N2 S1,C1 H4 N2 S1
Name: 4,6-Dimethylpyrimidine-2(1H)-thione thiourea
Synonym:
Source:
Melting Point:
Colour: reddish brown
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WIRWID
Authors/Journal
Authors: R.Moreno-Fuquen, M.T.do P.Gambardella, R.H.de Almeida Santos
Chemical
Name: 2-Picoline N-oxide 4-nitrophenol
Synonym:
Source:
Melting Point: 351K
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WISNIV
Authors/Journal
Authors: B.O'Leary, T.R.Spalding, G.Ferguson, C.Glidewell
Chemical
Formula: 4(C36 H32 O4 Si3),C4 H4 N2
Name: tetrakis(1,1,3,3,5,5-Hexaphenyltrisiloxane-1,5-diol) pyrazine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WISPAP
Authors/Journal
Chemical
Name: 1,1,3,3-Tetraphenyldisiloxane-1,3-diol 2,2'-bipyridyl
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.65
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WISPET
Authors/Journal
Chemical
Formula: 2(C24 H22 O3 Si2),C4 H4 N2
Name: bis(1,1,3,3-Tetraphenyldisiloxane-1,3-diol) pyrazine
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.11
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WISROH
Authors/Journal
Authors: Devendra Singh, J.B.Baruah
Journal: J.Inclusion Phenom.Macrocyclic Chem. , 76, 269, 2013
Chemical
Name: 4-((1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-
yl)methyl)cyclohexanecarboxylic acid quinoline
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WISSAU
Authors/Journal
Chemical
Name: 4-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-
yl)methyl)cyclohexanecarboxylic acid quinoline
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.24
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WISSIC
Authors/Journal
Chemical
Formula: C16 H17 N1 O4,0.5(C10 H8 N2)
Name: 4-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-
yl)methyl)cyclohexanecarboxylic acid hemikis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.43
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WITGAH
Authors/Journal
Authors: R.K.R.Jetti, Feng Xue, T.C.W.Mak, A.Nangia
Chemical
Formula: 2(C21 H12 Br3 N3 O3),C6 Cl6
Name: bis(2,4,6-tris(4-Bromophenoxy)-1,3,5-triazine)
hexachlorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.61
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WITMUH
Authors/Journal
Authors: O.S.Filipenko, S.M.Aldoshin, E.P.Ivakhnenko, V.A.Valiulin,
V.I.Minkin
Journal: Dokl.Akad.Nauk SSSR(Russ.)(Proc.Nat.Acad.Sci.USSR) , 370, 345,
2000
Chemical
Name: bis(1-Hydroxy-4,6-di-t-butylphenyl)amine bis(1H-2,4,6,8-tetra-
t-butylphenoxazin-1-one)
Synonym:
Source:
Colour: dark blue
Extra Information:
Experimental
R-Factor (%): 7.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: z(C14B) is -0.0410, not 0.0410
REFCODE: WITRUP
Authors/Journal
Authors: Xin Ye, Yang Liu, Qing Guo, Quanxiang Han, Chao Ge, Shuangyue
Cui, Leilei Zhang, Xutang Tao
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile fluoranthene
Synonym:
Source:
Colour: yellow
Experimental
R-Factor (%): 3.64
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WITVEC
Authors/Journal
Authors: K.M.Hutchins, J.C.Sumrak, L.R.MacGillivray
Chemical
Formula: 2(C11 H9 N1 S1),C6 H4 Cl2 O2
Name: 4,6-Dichlorobenzene-1,3-diol 4-(2-(3-thienyl)vinyl)pyridine
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIVDUA
Authors/Journal
Chemical
Name: 2,5-Dibromo-3,6-dihydroxy-1,4-benzoquinone phenazine
Synonym: Bromanilic acid phenazine
Source:
Melting Point:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 3.08
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WIVDUA01
Authors/Journal
Chemical
Formula: C6 D2 Br2 O4,C12 H8 N2
Name: 2,5-Dibromo-3,6-bis(deuteroxy)-1,4-benzoquinone phenazine
Synonym: Dideuterobromanilic acid phenazine
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIVDUA02
Authors/Journal
Chemical
Synonym: Bromanilic acid phenazine
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIVDUA03
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.45
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIVFAI
Authors/Journal
Chemical
Name: 2,5-Dibromo-3,6-dihydroxy-1,4-benzoquinone quinoxaline
Synonym: Bromanilic acid quinoxaline
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 5.56
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WIVFEM
Authors/Journal
Chemical
Name: 2,5-Dibromo-3,6-dihydroxy-1,4-benzoquinone pyrazine
Synonym: Bromanilic acid pyrazine
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 7.43
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WIWNAU
Authors/Journal
Authors: A.S.Kamalakaran
Chemical
Name: bis(isonicotinohydrazide) benzene-1,3,5-triol
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIXDOY
Authors/Journal
Authors: P.Sanphui, G.Bolla, A.Nangia, V.Chernyshev
Chemical
Name: (2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-
yl)acetoxy)acetic acid isonicotinamide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.79
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WIXDUE
Authors/Journal
Authors: P.Sanphui, G.Bolla, A.Nangia, V.Chernyshev
Chemical
Name: (2-(1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-
yl)acetoxy)acetic acid 4-aminobenzoic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 8.82
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOBJOM
Authors/Journal
Authors: V.N.Nesterov, T.V.Timofeeva, M.Yu.Antipin, R.D.Clark
Chemical
Name: 4-Methoxycinnamaldehyde 2,4-dinitroaniline
Synonym:
Source:
Melting Point: 366K
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WOBPIN
Authors/Journal
Authors: N.S.Begum, D.E.Vasundhara, C.R.Girija, M.N.Mallya,
G.Nagendrappa
Chemical
Formula: C10 H22 Cl1 N1 Si1,C6 H3 N3 O7
Name: cis-1-Chloro-2-amino-1-trimethylsilylcycloheptane picric acid
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOCHIH
Authors/Journal
Authors: B.Sarma, B.Saikia
Chemical
Name: 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione 3,5-
Synonym: Theophylline 3,5-dihydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.86
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOCHON
Authors/Journal
Chemical
Name: 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione 3,4-
Synonym: Theophylline 3,4-dihydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.53
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOCHUT
Authors/Journal
Chemical
Name: 1,3-Dimethyl-3,7-dihydro-1H-purine-2,6-dione 3-phenylacrylic
acid
Synonym: Theophylline cinnamic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.77
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOJQAN
Authors/Journal
Authors: R.D.Bailey, L.L.Hook, R.P.Watson, T.W.Hanks, W.T.Pennington
Chemical
Name: Phenazine tetraiodoethylene
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 1.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WOJQIV
Authors/Journal
Chemical
Name: 1,4-Dicyanobenzene tetraiodoethylene
Synonym:
Source:
Extra Information:
Experimental
R-Factor (%): 9.02
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The x coordinates of C3-C10 are all in error by a factor of 10
REFCODE: WOJQOB
Authors/Journal
Chemical
Name: 2,2'-Bipyridine tetraiodoethylene
Synonym:
Source:
Extra Information:
Experimental
R-Factor (%): 5.37
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WOLTAV
Authors/Journal
Authors: S.Kuthyala, M.Hanumanthappa, S.Madan Kumar, Sana Sheik,
N.G.Karikannar, A.Prabhu
Chemical
Name: 1-[3-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-5-(2-
hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one butanoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOLTOJ
Authors/Journal
Authors: A.Garai, K.Biradha
Chemical
Name: 2-[2-(pyridin-4-yl)ethenyl]-1H-benzimidazole terephthalic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOMGUB
Authors/Journal
Authors: G.Desiraju, P.M.Bhatt
Chemical
Name: (3S,8R,9S,10R,13S,14S,17S)-3beta-Hydroxypregn-5-en-20-one
2,4,6-trichlorophenol
Synonym: (3S,8R,9S,10R,13S,14S,17S)-Pregnenolone 2,4,6-trichlorophenol
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 10.66
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WONZEG
Authors/Journal
Authors: D.Kalita, J.B.Baruah
Chemical
Formula: C16 H13 N3 O1,0.5(C8 H6 O4)
Name: 1-Phenyl-3-(quinolin-5-yl)urea hemikis(terephthalic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOPCOV
Authors/Journal
Authors: J.Chandrasekaran, B.Babu
Chemical
Name: 2-aminopyridinium 4-aminobenzoate
Synonym:
Source:
Melting Point:
Colour: light brown
Extra Information: Nonlinear property
Experimental
R-Factor (%): 3.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOPPOH
Authors/Journal
Authors: M.B.J.Atkinson, D.-K.Bucar, A.N.Sokolov, T.Friscic,
C.N.Robinson, M.Y.Bilal, N.G.Sinada, A.Chevannes, L.R.MacGillivray
Chemical
Name: 4,6-Dichlororesorcinol 4,4'-dipyridylethylene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOPZUW
Authors/Journal
Authors: E.Batchelor, J.Klinowski, W.Jones
Chemical
Name: Dibenzopyrazine trans-but-2-ene-1,4-dioic acid
Synonym: Phenazine fumaric acid
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 3.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WOPZUW01
Authors/Journal
Authors: T.Smolka, T.Schaller, R.Sustmann, D.Blaser, R.Boese
Chemical
Name: Phenazine fumaric acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WOQBAF
Authors/Journal
Chemical
Name: Dibenzopyrazine trans-2-methylbut-2-ene-1,4-dioic acid
Synonym: Phenazine mesaconic acid
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.07
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WOQBEJ
Authors/Journal
Chemical
Name: Dibenzopyrazine bis(cis-but-2-ene-1,4-dioic acid)
Synonym: Phenazine bis(maleic acid)
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.39
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WOQBIN
Authors/Journal
Chemical
Name: Dibenzopyrazine bis(cis-2-methylbut-2-ene-1,4-dioic acid)
Synonym: Phenazine bis(citraconic acid)
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.93
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WOQBOT
Authors/Journal
Chemical
Name: Dibenzopyrazine butane-1,4-dioic acid
Synonym: Phenazine succinic acid
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.47
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WOQBUZ
Authors/Journal
Chemical
Name: Dibenzopyrazine bis(pentane-1,5-dioic acid)
Synonym: Phenazine bis(glutaric acid)
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WOTNAW
Authors/Journal
Authors: J.Tsutsumi, S.Matsuoka, S.Inoue, H.Minemawari, T.Yamada,
T.Hasegawa
Chemical
diylidene)dimalononitrile 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOTNIE
Authors/Journal
T.Hasegawa
Chemical
diylidene)dimalononitrile 2,7-didodecyl[1]benzothieno[3,2-b][1]benzothiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 9.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOTNOK
Authors/Journal
T.Hasegawa
Chemical
Name: 2,2'-Cyclohexa-2,5-diene-1,4-diylidenedimalononitrile 2,7-
didodecyl[1]benzothieno[3,2-b][1]benzothiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOTRIJ
Authors/Journal
Chemical
Formula: 2(C10 H7 Br1 N2),C6 F4 I2
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene bis(5-bromo-3,4'-
bipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.36
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOTWEJ
Authors/Journal
T.Hasegawa
Chemical
Name: 2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophene 2,2'-(2,5-
difluorocyclohexa-2,5-diene-1,4-diylidene)dimalononitrile
Synonym: 2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophenes 2,5-
difluoro-7,7,8,8-tetracyanoquinodimethane
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 7.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOTWIN
Authors/Journal
T.Hasegawa
Chemical
Name: 2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophene 2,2'-
(2,3,5,6-tetrafluorocyclohexa-2,5-diene-1,4-diylidene)dimalononitrile
Synonym: 2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophenes 2,3,5,6-
tetrafluoro-7,7,8,8-tetracyanoquinodimethane
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 7.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOTWOT
Authors/Journal
T.Hasegawa
Chemical
Name: 2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophene 2,2'-
Synonym: 2,7-dibutyl[1]benzothieno[3,2-b][1]benzothiophenes 7,7,8,8-
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOTWUZ
Authors/Journal
T.Hasegawa
Chemical
Name: 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophene 2,2'-
Synonym: 2,7-dioctyl[1]benzothieno[3,2-b][1]benzothiophenes 7,7,8,8-
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOVQUW
Authors/Journal
Authors: H.Barua, A.Gunnam, B.Yadav, Ashwini Nangia, N.R.Shastri
Chemical
Name: 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid 1-{[(5-
nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-dione
Synonym: Nitrofurantoin ferulic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.58
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOWFET
Authors/Journal
Authors: G.Ono, H.Terao, S.Higuchi, T.Sugawara, A.Izuoka, T.Mochida
Chemical
Formula: C11 H11 N1 O1 S8,C12 F4 N4
Name: 4,5-Ethylenedithio-4'-(carbamoylmethylthio)-5'-
methylthiotetrathiafulvalene tetrafluoro-tetracyanoquinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 7.25
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: WOYPEH
Authors/Journal
Authors: M.K.Kumar, P.Pandi, S.Sudhahar, G.Chakkaravarthi, R.M.Kumar
Journal: Acta Crystallogr.,Sect.E:Cryst.Commun. , 71, o125, 2015
Chemical
Name: 4-aminobenzoic acid 4-methylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOYXEQ01
Authors/Journal
Authors: H.M.Titi, M.Arhangelskis, G.P.Rachiero, T.Friscic, R.D.Rogers
Chemical
Formula: C6 H20 B10 N4,C4 H4 N2
Name: 6-exo,9-exo-bis(1H-imidazole)-5,10:7,8-di-muH-nido-
decaborane(12) pyrazine
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information: Air-sensitive,Moisture-sensitive,Hypergolic
Experimental
R-Factor (%): 5.65
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOYXIU01
Authors/Journal
Authors: H.M.Titi, M.Arhangelskis, G.P.Rachiero, T.Friscic, R.D.Rogers
Chemical
Formula: C6 H20 B10 N4,C6 H5 N1 O2
Name: 6-exo,9-exo-bis(1H-imidazole)-5,10:7,8-di-muH-nido-
decaborane(12) nitrobenzene
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information: Hypergolic
Experimental
R-Factor (%): 4.26
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WOZMAB
Authors/Journal
Authors: Cun Tan, Haoyue Xiang, Qian He, Chunhao Yang
Chemical
Name: methyl acetate 2-(3,4-dimethoxyphenyl)-4-hydroxypyrrolo[1,2-
b]pyridazine-7-carbonitrile
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUDHUA
Authors/Journal
Authors: Hong-Shan Yin, Gao-Shan Yang, Chong-Bo Liu, An-Wang He, Yu-
Bing Zhou, Zhi-Peng Zhang, Huai-Meng Li
Chemical
Name: bis(2,2'-(1,3-phenylenebis(oxy))diacetic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUKBUB
Authors/Journal
Authors: Hao-Jie Yan, San-Yan Feng, Xin-Zhan Sun
Chemical
Formula: C10 H8 N2 O2 S1,2(C7 H5 Cl1 O2)
Name: 4,4'-sulfonyldipyridine bis(3-chlorobenzoic acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.84
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUKLAP
Authors/Journal
Chemical
Name: bis(N-Methylmorpholinioacetate) L-(+)-tartaric acid
Synonym: bis(N-Methylmorpholinebetaine) L-(+)-tartrate
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WULRED
Authors/Journal
Authors: N.Biot, D.Bonifazi
Chemical
Formula: C12 H3 F4 I1 N2 Te1,C11 H7 N3 Te1
Name: 2-(pyridin-4-yl)[1,3]tellurazolo[5,4-b]pyridine 2-(2,3,5,6-
tetrafluoro-4-iodophenyl)[1,3]tellurazolo[5,4-b]pyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.79
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: synchrotron; twin; 293 K
CCDC Notes:
REFCODE: WUMMUN
Authors/Journal
Authors: Bo Jiang, Shu-Jiang Tu, P.Kaur, W.Wever, Guigen Li
Chemical
Name: 5-amino-7-(4-(dimethylamino)phenyl)-2,4-dioxo-
1,2,3,4,4a,7,7a,8,9,10-decahydrocyclopenta[i]quinazoline-6-carbonitrile N,N-
dimethylformamide
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.76
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUMNAU
Authors/Journal
Authors: Bo Jiang, Shu-Jiang Tu, P.Kaur, W.Wever, Guigen Li
Chemical
Name: 5-amino-7-(4-methylphenyl)-2,4-dioxo-2,3,4,4a,7,7a,8,9,10,11-
decahydro-1H-benzo[i]quinazoline-6-carbonitrile N,N-dimethylformamide
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 9.2
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUNDUH
Authors/Journal
Authors: D.Bulfield, E.Engelage, L.Mancheski, J.Stoesser, S.Huber
Chemical
Name: decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene
1$2!,1$3!,1$4!,1$5!,2$2!,2$4!,2$5!,2$6!,3$2!,3$3!,3$4!,3$5!-dodecafluoro-1$6!,3$6!-
diiodo-1$1!,2$1!:2$3!,3$1!-terphenyl
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.09
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUNFUJ
Authors/Journal
Authors: D.Bulfield, E.Engelage, L.Mancheski, J.Stoesser, S.Huber
Chemical
Name: decahydro-1H,6H-3a,5a,8a,10a-tetraazapyrene
1$2!,1$3!,1$4!,1$5!,2$2!,2$3!,2$5!,2$6!,3$2!,3$3!,3$4!,3$5!-dodecafluoro-1$6!,3$6!-
diiodo-1$1!,2$1!:2$4!,3$1!-terphenyl
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUPTIK
Authors/Journal
Authors: E.Lago, E.Molins, C.Miravitlles, J.-C.Wallet
Chemical
Name: 2',6'-Dimethoxyflavone picric acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WURGAS
Authors/Journal
Authors: A.Tamilselvi, G.Mugesh
Chemical
Name: 5,5'-Disulfanediylbis(1-methyl-1H-tetrazole) di-iodine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.07
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WURGIA
Authors/Journal
Authors: A.Tamilselvi, G.Mugesh
Chemical
Formula: C3 H4 I2 N2 S2,I2
Name: ((5-Methyl-1,3,4-thiadiazol-2(3H)-ylidene)sulfonyl)diiodine
di-iodine
Synonym:
Source:
Melting Point:
Colour: deep red
Extra Information:
Experimental
R-Factor (%): 3.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WURVIP
Authors/Journal
Authors: Mujuan Chen, Shujuan Han, Lasheng Jiang, Songgen Zhou, Fei
Jiang, Zhikai Xu, Jidong Liang, Suhui Zhang
Chemical
Name: [2]-(N,N'-Dibenzyl-pyridine-3,5-dicarboxamide-1-oxide)-
(17,20,23,26,29-pentaoxa-3,11-
diazatetracyclo[28.2.2.2$13,16!.1$5,9!]heptatriaconta-
1(32),5(37),6,8,13,15,30,33,35-nonaene-4,10-dione)-pseudorotaxane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.27
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUSTAH
Authors/Journal
Authors: A.Karthikeyan, R.Swinton Darious, P.Thomas Muthiah, F.Perdih
Chemical
Name: 3-hydroxypyridin-1-ium-2-carboxylate N-(7H-purin-6-
yl)benzamide
Synonym: 3-hydroxypyridin-1-ium-2-carboxylate N$6!-benzoyladenine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.77
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUSTEL
Authors/Journal
Authors: A.Karthikeyan, R.Swinton Darious, P.Thomas Muthiah, F.Perdih
Chemical
Name: N-(7H-purin-6-yl)benzamide 2,3-dihydroxysuccinate
Synonym: N6-benzoyladenine DL-tartaric acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUTDEX
Authors/Journal
Authors: P.P.Mazzeo, C.Carraro, A.Monica, D.Capucci, P.Pelagatti,
F.Bianchi, S.Agazzi, M.Careri, Aida Raio, M.Carta, F.Menicucci, M.Belli,
M.Michelozzi, A.Bacchi
Chemical
Name: 5-methyl-2-(propan-2-yl)phenol phenazine
Synonym:
Source:
Melting Point:
Colour: yellowish
Extra Information:
Experimental
R-Factor (%): 4.93
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUTDEX01
Authors/Journal
Chemical
Name: 5-methyl-2-(propan-2-yl)phenol phenazine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUTDOH
Authors/Journal
Chemical
Name: 2-methoxy-4-(prop-2-en-1-yl)phenol phenazine
Synonym:
Source:
Melting Point:
Colour: yellowish
Extra Information:
Experimental
R-Factor (%): 6.22
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUTFID
Authors/Journal
Chemical
Name: bis(2-methyl-5-(propan-2-yl)phenol) phenazine
Synonym:
Source:
Melting Point:
Colour: yellowish
Extra Information:
Experimental
R-Factor (%): 6.24
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUTHEA01
Authors/Journal
Chemical
Name: bis(1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione) tris(2-
aminobenzoic acid)
Synonym: bis(theophylline) tris(anthranilic acid)
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUTJAY
Authors/Journal
Authors: B.Saikia, P.Bora, R.Khatioda, B.Sarma
Chemical
Name: 3-aminobenzoic acid 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-
dione
Synonym: 3-aminobenzoic acid theophylline
Source:
Melting Point:
Colour: colorless
Extra Information: Theophylline is a bronchodilator drug
Experimental
R-Factor (%): 5.78
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUWRIQ
Authors/Journal
Authors: N.Takata, R.Takano, H.Uekusa, Y.Hayashi, K.Terada
Chemical
Formula: C24 H32 O4 S1,C7 H5 N1 O3 S1
Name: S-(10,13-Dimethyl-3,5'-dioxo-
1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-
spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl) ethanethioate 1,2-benzothiazol-
3(2H)-one 1,1-dioxide
Synonym: 7a-Acetylthio-3-oxo-17alpha-pregn-4-ene-21,17-carbolactone
saccharin; Spironolactone saccharin
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.33
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUYROX
Authors/Journal
Authors: J.Madarasz, P.Bombicz, K.Jarmi, M.Ban, G.Pokol, S.Gal
Chemical
Name: Theophylline N-(2-ammonioethyl)carbamate
Synonym:
Source:
Melting Point: 130deg.C.(dec.)
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WUZMUZ
Authors/Journal
Authors: C.Guardigli, R.Liantonio, M.L.Mele, P.Metrangolo, G.Resnati,
T.Pilati
Chemical
Formula: C15 H6 F8 I2 O2,C13 H14 N2
Name: 1,3-bis(2,3,5,6-Tetrafluoro-4-iodo-phenoxy)propane 1,3-
bis(pyrid-4-yl)propane
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.95
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XABPAU
Authors/Journal
Chemical
Name: cyclohexane-1,4-dicarboxylic acid bis(6-phenyl-1,3,5-triazine-
2,4-diamine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XABPAU01
Authors/Journal
Authors: Ling Ling Zheng, Ai Ju Zhou, Sheng Hu
Chemical
Name: cyclohexane-1,4-dicarboxylic acid bis(6-phenyl-1,3,5-triazine-
2,4-diamine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: Study temperature given as 566 K and 293 K in the CIF
REFCODE: XAFQAZ
Authors/Journal
Authors: K.A.Wheeler, M.E.Breen
Chemical
Name: 5,13-dimethyl-1,9-
diazatetracyclo[7.7.1.0$2,7!.0$10,15!]heptadeca-2,4,6,10,12,14-hexaene 3,5-
dinitrobenzoic acid
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.58
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAHRIK
Authors/Journal
Authors: Zhen He, Xiaotian Qi, Zhijie She, Yinsong Zhao, Shiqing Li,
Junbin Tang, Ge Gao, Yu Lan, Jingsong You
Chemical
Name: 3-benzoyl-2-phenyloxirane-2-carboxylic acid 1-
methylpyrrolidin-2-one
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAHZAH
Authors/Journal
Authors: J.M.A.Robinson, D.Philp, K.D.M.Harris, B.M.Kariuki
Chemical
Name: 1,3,5-Triethynylbenzene 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.99
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XAJJUQ
Authors/Journal
Authors: Ke Liu, Gao Zhang, Jieyu Luan, Zhiqun Chen, Pengfei Su,
Yuanjie Shu
Chemical
Name: 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-
hexaazatetracyclo[5.5.0.0$3,11!.0$5,9!]dodecane bis(2-methyl-1,4-dinitrobenzene)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.08
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAJTUB
Authors/Journal
Authors: K.Kranjc, A.Juranovic, M.Kocevar, F.Perdih
Journal: Symmetry , 12, 1714, 2020
Chemical
Name: N-[6-acetyl-1-methyl-3-oxo-8-(2-oxopyrrolidin-1-yl)-2-
oxabicyclo[2.2.2]oct-5-en-4-yl]-3,4,5-trimethoxybenzamide 1-ethenylpyrrolidin-2-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 293
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAMTOV
Authors/Journal
Authors: Z.Dega-Szafran, G.Dutkiewicz, Z.Kosturkiewicz, M.Petryna,
M.Szafran
Chemical
Name: 1-Piperidineacetic acid 2,6-dichloro-4-nitrophenol
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAMWEO
Authors/Journal
Chemical
Name: N-Methylmorpholine betaine 2,4-dinitrophenol
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: in the cif, z(O141) should be 0.1168 not -0.1168 and x(H22)
should be 0.2158 not 0.1258
REFCODE: XANZUK
Authors/Journal
Authors: C.Lopez, R.M.Claramunt, E.Pinilla, M.Rosario Torres,
Journal: Magn.Reson.Chem. , 47, 917, 2009
Chemical
Name: 2-chloro-1,3,5-trinitrobenzene 9H-carbazole
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.86
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAPMAC
Authors/Journal
Chemical
Name: Phenazine 2,3-dihydroxyfumaric acid
Synonym:
Source:
Melting Point: decomposes above 150 deg.C
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.92
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XAPMIK
Authors/Journal
Chemical
Name: Phenazine oxalic acid
Synonym:
Source:
Colour: dark green
Extra Information:
Experimental
R-Factor (%): 4.94
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XAPWOA
Authors/Journal
Authors: D.E.Lynch, C.J.Cooper, V.Chauhan, G.Smith, P.Healy, S.Parsons
Chemical
Name: 5-Nitroquinoline (2,4,5-trichlorophenoxy)acetic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.31
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XAPWUG
Authors/Journal
Authors: D.E.Lynch, C.J.Cooper, V.Chauhan, G.Smith, P.Healy, S.Parsons
Chemical
Name: 4,4'-Bipyridine (2,4,5-trichlorophenoxy)acetic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.33
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XAPYUL
Authors/Journal
Authors: Ankush Sood, G.R.Desiraju
Chemical
Name: p-Phenylenediamine resorcinol
Synonym: resorcinol benzene-1,4-diamine
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAPZAS
Authors/Journal
Chemical
Name: p-Phenylenediamine bis(2,7-dihydroxynaphthalene)
Synonym: bis(naphthalene-2,7-diol) benzene-1,4-diamine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAPZEW
Authors/Journal
Chemical
Name: 4,4'-methylenedianiline and Hydroquinone
Synonym: hydroquinone 4-(4-aminobenzyl)aniline
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.02
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAPZIA
Authors/Journal
Chemical
Name: bis(pyrocatechol) benzene-1,4-diamine
Synonym: p-Phenylenediamine bis(pyrocatechol)
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAPZOG
Authors/Journal
Chemical
Name: pyrocatechol 4-(4-aminobenzyl)aniline
Synonym:
Source:
Colour: faint red
Extra Information:
Experimental
R-Factor (%): 6.23
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAPZUM
Authors/Journal
Chemical
Name: 4,4'-Methylenedianiline resorcinol
Synonym: resorcinol 4-(4-aminobenzyl)aniline
Source:
Colour: cream
Extra Information:
Experimental
R-Factor (%): 7.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAQBAV
Authors/Journal
Chemical
Name: resorcinol 4-(4-aminophenoxy)aniline
Synonym: 4,4'-Oxydianiline Resorcinol
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAVTEW
Authors/Journal
Authors: Qing-Zhu Zeng, Jian Ouyang, Shuo Zhang, Lei Zhang
Journal: Eur.J.Pharm.Sci. , 102, 140, 2017
Chemical
Name: 6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-
benzofuran-5-yl)-4-methylhex-4-enoic acid N-(pyridin-2-yl)pyridin-2-amine
Synonym: mycophenolic acid 2,2'-dipyridylamine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.59
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAVTIA
Authors/Journal
Authors: Qing-Zhu Zeng, Jian Ouyang, Shuo Zhang, Lei Zhang
Journal: Eur.J.Pharm.Sci. , 102, 140, 2017
Chemical
Name: bis(6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-
benzofuran-5-yl)-4-methylhex-4-enoic acid) pyridine-4-carboxamide
Synonym: bis(mycophenolic acid) isonicotinamide
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.99
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAWLIT
Authors/Journal
Authors: Shan Jiang, R.S.Patil, C.L.Barnes, J.L.Atwood
Chemical
Formula: C54 H60 O12,4(C10 H8 N2)
Name: 2,8,14,20,26,32-
hexaethylheptacyclo[31.3.1.1$3,7!.1$9,13!.1$15,19!.1$21,25!.1$27,31!]dotetraconta-
1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-
octadecaene-4,6,10,12,16,18,22,24,28,30,34,36-dodecol tetrakis(4,4'-bipyridine)
Synonym: C-ethylresorcin[6]arene tetrakis(4,4'-bipyridine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.83
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAXCUX
Authors/Journal
Authors: R.Montis, M.Arca, M.Carla Aragoni, A.Bauza, F.Demartin,
A.Frontera, F.Isaia, Vito Lippolis
Chemical
Name: bis(1,5,5-trimethyl-2-sulfanylideneimidazolidin-4-one) iodine
Synonym: bis(1,5, 5-trimethyl-2-thiohydantoin) iodine
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 1.92
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAXPIV02
Authors/Journal
Authors: Y.Ito, H.Hosomi, S.Ohba
Chemical
Name: bis(trans-Cinnamamide) trans-butenedioic acid
Synonym: bis(trans-Cinnamamide) fumaric acid
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.0
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAXPOB
Authors/Journal
Chemical
Name: 4,5-Dichlorophthalic acid bis(trans-cinnamamide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XAXPUH
Authors/Journal
Chemical
Name: 3,4,5,6-Tetrachlorophthalic acid bis(trans-cinnamamide)
Synonym: PDB Chemical Component code: DH6
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XAZRIC
Authors/Journal
Authors: P.K.Goswami, V.Kumar, R.Thaimattam, A.Ramanan
Chemical
Name: bis(5-ammonio-2-hydroxybenzoate) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 9.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XAZSID
Authors/Journal
Authors: R.Thirumurugan, B.Babu, K.Anitha, J.Chandrasekaran
Chemical
Name: thiourea glutaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.78
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEBFOA
Authors/Journal
Authors: M.M.Rosli, H.-K.Fun, A.R.Ibrahim, T.Panawarangkul,
S.Chantrapromma
Chemical
Name: 3,5-Dinitrobenzoic acid quinoline
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.84
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XEBTIH
Authors/Journal
Authors: D.S.Reddy, T.Dewa, K.Endo, Y.Aoyama
Chemical
Name: tetrakis(4-(3-Hydroxyphenyl)phenyl)methane bis(benzoquinone)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 7.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XECQII
Authors/Journal
Authors: C.A.Gunawardana, J.Desper, A.S.Sinha, M.akovic, C.B.Aakeroy
Journal: Faraday Discuss. , 203, 371, 2017
Chemical
Formula: 0.5(C12 H22 O4),C12 H11 N5
Name: 1-[(pyridin-2-yl)methyl]-1H,1'H-2,2'-bi-imidazole
hemikis(dodecanedioic acid)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.54
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XECREF
Authors/Journal
Chemical
Name: 1-[(pyridin-4-yl)methyl]-1H,1'H-2,2'-bi-imidazole benzoic acid
Synonym:
Source:
Melting Point:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 4.15
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XECROP
Authors/Journal
Chemical
Name: 1-[(pyridin-4-yl)methyl]-1H,1'H-2,2'-bi-imidazole adipic acid
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.95
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEGHEW
Authors/Journal
Authors: S.Chandrasekar, K.Panchanatheswaran
Chemical
Name: N-(3-Chlorophenyl)-alpha-phenylnitrone benzoic acid
Synonym:
Source:
Extra Information:
Experimental
R-Factor (%): 5.12
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XEMBOI
Authors/Journal
Authors: E.S.Salmina, G.L.Rusinov, P.A.Slepukhin, R.I.Ishmetova,
S.G.Tolshchina, V.A.Potemkin, M.A.Grishina
Chemical
Name: 3,6-bis(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine
bis(1H-tetrazole)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.25
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEMBUO
Authors/Journal
Chemical
Name: 3,6-bis(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine bis(5-
amino-1H-tetrazole)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.01
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEMCAV
Authors/Journal
Chemical
bis(1H-indole)
Synonym: PDB Chemical Component code: IND
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.35
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEMCEX
Authors/Journal
Authors: F.S.Gibson, Jianmei Wei, P.Vemishetti, Qi Gao, J.L.Dillon
Chemical
Name: Baccatin III 2-propanol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: unstable
Experimental
R-Factor (%): 6.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XEMCEZ
Authors/Journal
Chemical
bis(1H-benzotriazole)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.53
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEMCID
Authors/Journal
Chemical
Name: 3,6-bis(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine bis(5-
nitro-1H-benzotriazole)
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.26
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEMCUP
Authors/Journal
Chemical
Formula: C13 H12 Br1 N7,C6 H5 N3
Name: N-(4-Bromophenyl)-6-(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-
tetrazin-3-amine 1H-benzotriazole
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XENGAB
Authors/Journal
Authors: D.Markad, S.K.Mandal
Chemical
Name: 2,2'-(benzene-1,4-diylbis{methanediyl[(pyridin-2-
ylmethyl)imino]})diacetamide tetrakis(1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione)
Synonym: 2,2'-(benzene-1,4-diylbis{methanediyl[(pyridin-2-
ylmethyl)imino]})diacetamide tetrakis(theophylline)
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.58
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEQCIH
Authors/Journal
Authors: Gui-Ge Hou, Hui-Juan Zhao, Ju-Feng Sun, Dong Lin, Xian-Ping
Dai, Jing-Tian Han, Hui Zhao
Chemical
Name: Benzene-1,4-diol bis(5-(4-(1H-imidazol-1-yl)phenyl)pyrimidine)
Synonym: Hydroquinone bis(5-(4-(1H-imidazol-1-yl)phenyl)pyrimidine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.46
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEQCON
Authors/Journal
Chemical
Name: Benzene-1,3-diol 5-(4-(1H-imidazol-1-yl)phenyl)pyrimidine
Synonym: Resorcinol 5-(4-(1H-imidazol-1-yl)phenyl)pyrimidine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.9
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEQCUT
Authors/Journal
Chemical
Name: Benzene-1,3-diol bis(5-(pyridin-4-yl)pyrimidine)
Synonym: Resorcinol bis(5-(pyridin-4-yl)pyrimidine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.94
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEQDAA
Authors/Journal
Chemical
Name: Benzene-1,4-diol bis(5-(pyridin-4-yl)pyrimidine)
Synonym: Hydroquinone bis(5-(pyridin-4-yl)pyrimidine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XERBUU
Authors/Journal
Authors: Hao Sun, Jing Peng, Kun Zhao, R.Usman, Arshad Khan, Mingliang
Wang
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 9H-carbazole-9-carbaldehyde
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XERCAB
Authors/Journal
Wang
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile bis(1-(9H-carbazol-9-
yl)ethan-1-one)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.36
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XERCEF
Authors/Journal
Wang
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile bis(pyrene-1-carbaldehyde)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 6.79
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XERCIJ
Authors/Journal
Wang
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 1-(pyren-1-yl)ethan-1-one
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XESSAQ
Authors/Journal
Authors: S.Spange, M.Bauer, B.Walfort, H.Lang
Chemical
Name: 1-n-Butyl-9,9-di-p-tolyl-1,9-dihydro-10-oxa-1,3-
diazaphenanthrene-2,4-dione 2,6-diacetamidopyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XETLIS
Authors/Journal
Authors: V.H.Rodrigues, M.M.R.R.Costa, E.de M.Gomes, E.Nogueira,
M.Belslsey
Chemical
Name: L-Phenylalanine 4-nitrophenol
Synonym: (2S)-2-ammonio-3-phenylpropanoate 4-nitrophenol
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEVCEG
Authors/Journal
Authors: V.R.Pedireddi, A.Ranganathan, K.N.Ganesh
Chemical
Name: 9-Ethyladenine N-methylcyanuric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.83
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XEWTUO
Authors/Journal
Authors: G.Smith, M.G.Coyne, J.M.White
Chemical
Name: 5-nitrosalicylic acid diethylurea
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEWVAW
Authors/Journal
Authors: G.Smith, M.G.Coyne, J.M.White
Chemical
Name: 3,5-dinitrosalicylic acid diethylurea
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEZDIQ01
Authors/Journal
Authors: Chunhua Tony Hu
Chemical
Name: oxalic acid 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 6.92
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEZDIQ03
Authors/Journal
Authors: J.Lombard, V.J.Smith, Tanya le Roex, D.A.Haynes
Chemical
Name: 4,4-bipyridine oxalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.36
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEZZEK
Authors/Journal
Chemical
Formula: C32 H18 Mg1 N8 O1,2(C7 H9 N1)
Name: aqua-[29H,31H-phthalocyaninato]-magnesium 3,4-lutidine
Synonym:
Source:
Melting Point:
Colour: violet
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIBQUU
Authors/Journal
Authors: Rong Liu, Kum-Fun Mok, S.Valiyaveettil
Chemical
Name: bis(1,3,5-Benzenetricarboxylic acid) 1,3,5-trihydroxybenzene
Synonym: bis(Trimesic acid) phloroglucinol
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.68
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XICGUO
Authors/Journal
Authors: H.Rawat, R.Samanta, B.Bhattacharya, S.Deolka, A.Dutta, S.Dey,
K.Bal Raju, C.Malla Reddy
Chemical
Formula: C10 H8 N2,2(C7 H4 Cl1 N1 O4)
Name: bis(3-chloro-2-nitrobenzoic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIDDAS
Authors/Journal
Authors: E.Elacqua, M.A.Sinnwell, B.P.Loren, P.T.Jurgens,
R.H.Groeneman, E.W.Reinheimer, L.R.MacGillivray
Journal: ChemPlusChem , 81, 893, 2016
Chemical
Name: ethyl 3-(pyridin-4-yl)but-2-enoate 5-methylbenzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.38
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIDGAU
Authors/Journal
Authors: M.Baldrighi, Pierangelo Metrangolo, T.Pilati, G.Resnati,
G.Terraneo, M.R.Chierotti, R.Gobetto
Chemical
Formula: 2(C8 H12 I1 N1 O2),C10 H8 N2
Name: bis(3-Iodoprop-2-yn-1-yl butylcarbamate) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.02
Temperature: 296
Density (CCDC): 1.6
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIGPEL
Authors/Journal
Authors: R.Usman, Arshad Khan, Hao Sun, Mingliang Wang
Chemical
(naphthalen-2-yl)-3-(pyren-1-yl)prop-2-en-1-one
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 9.54
Temperature: 293
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIGPIP
Authors/Journal
Chemical
(pyren-1-yl)-1-(thiophen-2-yl)prop-2-en-1-one
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIGPOV
Authors/Journal
Chemical
bis(2-phenyl-3-(pyren-1-yl)prop-2-enenitrile)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 9.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIJYEX
Authors/Journal
Authors: G.Bergamaschi, L.Lascialfari, A.Pizzi, M.I.M.Espinoza,
N.Demitri, A.Milani, A.Gori, Pierangelo Metrangolo
Chemical
Name: 4-(dimethylamino)benzaldehyde 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.53
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIMFII
Authors/Journal
Authors: Jing Wu, Hua Chen, Wai Him Kwok, Kim Hung Lam, Zhong Yuan
Zhou, Chi Hung Yeung, A.S.C.Chan
Chemical
Name: (-)-2,2',6,6'-Tetramethoxy-4,4'-bis(bis(3,5-
dimethylphenyl)phosphine oxide)-3,3'-bipyridine (+)-dibenzoyl-D-tartaric acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.88
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIPNUI
Authors/Journal
Authors: M.K.Bommaka, M.K.C.Mannava, K.Suresh, A.Gunnam, Ashwini Nangia
Chemical
Name: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-
enamide pyridine-4-carboxamide
Synonym: (E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)-N, N-
diethylacrylamide pyridine-4-carboxamide; entacapone isonicotinamide
Source:
Colour: yellow
Extra Information: catechol-o-methyltransferase enzyme inhibitor
Experimental
R-Factor (%): 5.88
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIPPAQ
Authors/Journal
Chemical
enamide pyrazine-2-carboxamide
diethylacrylamide pyrazine-2-carboxamide; entacapone pyrazinamide
Source:
Colour: pale yellow
Experimental
R-Factor (%): 8.85
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIPPEU
Authors/Journal
Chemical
enamide acetamide
diethylacrylamide acetamide; entacapone acetamide
Source:
Colour: yellow
Experimental
R-Factor (%): 7.81
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIPVAU
Authors/Journal
Authors: W.Jankowski, A.Kadzewski, M.Gdaniec
Chemical
Name: 2,4,6-Trihydroxybenzoic acid bis(phenazine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.42
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XISCUZ
Authors/Journal
Authors: A.Barakat, Hoong-Kun Fun
Chemical
Name: diisopropylamine 5-benzylidene-2-thioxo-1,3-thiazolidin-4-one
Synonym:
Source:
Melting Point:
Colour: pink
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XISDAG
Authors/Journal
Chemical
Name: diethylamine 5-(4-chlorobenzylidene)-2-thioxo-1,3-thiazolidin-
4-one
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.51
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XISDEK
Authors/Journal
Chemical
Name: diethylamine 5-(phenyl(phenylsulfanyl)methyl)-2-thioxo-1,3-
thiazolidin-4-one
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XISDUB
Authors/Journal
Authors: E.Bosch, S.J.Kruse, R.H.Groeneman
Chemical
Name: 1,2-bis(iodoethynyl)benzene bis(4-stilbazole)
Synonym: 1,2-bis(iodoethynyl)benzene bis(4-(2-phenylethenyl)pyridine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.77
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XISFAJ
Authors/Journal
Chemical
Formula: C10 H4 I2,C12 H10 N2
Name: 1,2-bis(iodoethynyl)benzene trans-1,2-bis(4-pyridyl)ethene
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 8.62
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XISFEN
Authors/Journal
Chemical
Formula: C10 H4 I2,C12 H8 N2
Name: 1,2-bis(iodoethynyl)benzene 1,2-bis(4-pyridyl)ethyne
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.39
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XISYOQ
Authors/Journal
Authors: A.Mandal, P.Swain, B.Nath, S.Sau, P.Mal
Chemical
2,7-di-t-butylpyrene
Synonym:
Source:
Melting Point:
Colour: blue
Extra Information:
Experimental
R-Factor (%): 5.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XISYUW
Authors/Journal
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 2,7-di-t-butylpyrene
Synonym:
Source:
Melting Point:
Colour: pink
Extra Information:
Experimental
R-Factor (%): 4.6
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XISZAD
Authors/Journal
Chemical
Name: 2,7-di-t-butylpyrene 1,3-dinitrobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.26
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIXTOQ
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIYSAC
Authors/Journal
Authors: B.C.D.Owoyemi, C.C.P.da Silva, M.S.Souza, L.F.Diniz, J.Ellena,
R.L.Carneiro
Chemical
Name: fluconazole adipic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: fluconazole is an antifungal multifunctional drug
Experimental
R-Factor (%): 6.32
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIYSEG
Authors/Journal
R.L.Carneiro
Chemical
Name: fluconazole pyridine-2,6-dicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.88
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIYSOQ
Authors/Journal
R.L.Carneiro
Chemical
Name: fluconazole malic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.83
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIYWIM
Authors/Journal
Authors: S.R.Domingos, M.R.Silva, N.D.Martins, A.M.Beja, J.A.Paixao
Chemical
Name: Pyromellitic acid bis(sarcosine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XIZCER
Authors/Journal
Authors: Qing Ma, Shi-Liang Huang, Huan-Chang Lu, Fude Nie, Long-Yu
Liao, Gui-Juan Fan, Jing-Lun Huang
Chemical
Name: 5,5'-bis(trinitromethyl)-2H,2'H-3,3'-bi-1,2,4-triazole bis(1H-
1,2,3-triazole)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 13.82
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOBHIF
Authors/Journal
Authors: L.C.R.Andrade, M.M.R.Costa, J.A.Paixao, M.L.Santos,
J.A.Moreira, M.R.Chaves, A.Almeida
Chemical
Name: Betaine citric acid
Synonym: Trimethylglycine 2-hydroxy-1,2,3-propanetricarboxylic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.52
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOBVUF
Authors/Journal
Journal: Koord.Khim.(Russ.)(Coord.Chem.) , 27, 809, 2001
Chemical
Formula: C12 H12 Ca1 N6 O18,C12 H24 O6
Name: Tetra-aqua-bis(picrato-O,O')-calcium 18-crown-6
Synonym:
Source:
Melting Point:
Colour: light brown
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOBWET
Authors/Journal
Authors: A.M.S.Riel, O.Jeannin, O.B.Berryman, M.Fourmigue
34, 2019
Chemical
Formula: 2(C15 H15 N3 Se3),C8 H12 N2
Name: bis((mu-(2,4,6-trimethylbenzene-1,3,5-triyl)tris(methylene))-
tris(cyano)-tri-selenium) tetramethylpyrazine
Synonym: bis(1,3,5-tris(selenocyanatomethyl)-2,4,6-trimethylbenzene)
tetramethylpyrazine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.07
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOBWIX
Authors/Journal
34, 2019
Chemical
Formula: 2(C15 H15 N3 Se3),C6 H4 O2
tris(cyano)-tri-selenium) cyclohexa-2,5-diene-1,4-dione
benzoquinone
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.38
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOBWOD
Authors/Journal
34, 2019
Chemical
Formula: 2(C15 H15 N3 Se3),C6 H4 N2 O4
tris(cyano)-selenium) 1,4-dinitrobenzene
1,4-dinitrobenzene
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.19
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XODPOX
Authors/Journal
Authors: Jia-Xi Song, Yan Yan, Jia Yao, Jia-Mei Chen, Tong-Bu Lu
Chemical
Name: urea 3-(4-amino-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-
2,6-dione
Synonym: lenalidomide urea
Source:
Melting Point:
Colour: colorless
Extra Information: Lenalidomide is used in the treatment of mantle cell lymphoma,
multiple myeloma, and transfusion-dependent anaemia
Experimental
R-Factor (%): 4.45
Temperature: 285
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGDII
Authors/Journal
Huang
Chemical
Name: bis(Cyclohexane-1,4-dicarboxylic acid) tetramethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGDOO
Authors/Journal
Huang
Chemical
Name: bis(2,6-Dihydroxybenzoic acid) tetramethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGFAC
Authors/Journal
Huang
Chemical
Name: bis(6-Hydroxy-2-naphthoic acid) tetramethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGFIK
Authors/Journal
Huang
Chemical
Name: Phthalic acid tetramethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGFOQ
Authors/Journal
Huang
Chemical
Name: bis(Phthalic acid) tetramethylpyrazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGMIR
Authors/Journal
Authors: F.George, N.Tumanov, B.Norberg, K.Robeyns, Y.Filinchuk,
Chemical
Name: 2,2-Dimethylsuccinic acid 2-(2-oxopyrrolidin-1-yl)butanamide
Synonym: Etiracetam 2,2-dimethylsuccinic acid
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [XOGMOX]
Experimental
R-Factor (%): 4.39
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGNEO
Authors/Journal
Chemical
Name: 3-Nitrobenzoic acid 2-(2-oxopyrrolidin-1-yl)butanamide
Synonym: Etiracetam 3-nitrobenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.26
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGNIS
Authors/Journal
Chemical
Name: bis(3-Nitrobenzoic acid) 2-(2-oxopyrrolidin-1-yl)butanamide
Synonym: Levetiracetam bis(3-nitrobenzoic acid)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGNOY
Authors/Journal
Chemical
Synonym: Etiracetam bis(4-nitrobenzoic acid)
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [XOGNUE]
Experimental
R-Factor (%): 5.26
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGNUE
Authors/Journal
Chemical
Synonym: Levetiracetam bis(4-nitrobenzoic acid)
Source:
Melting Point:
Colour: colorless
Extra Information: for racemate see [XOGNOY]
Experimental
R-Factor (%): 5.4
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGPAM
Authors/Journal
Chemical
Name: 2-(2-Oxopyrrolidin-1-yl)butanamide ethanedioic acid
Synonym: Etiracetam oxalic acid
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [XOGPEQ]
Experimental
R-Factor (%): 4.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOGPEQ
Authors/Journal
Chemical
Name: 2-(2-oxopyrrolidin-1-yl)butanamide ethanedioic acid
Synonym: Levetiracetam oxalic acid
Source:
Melting Point:
Colour: colorless
Extra Information: for racemate see [XOGPAM]
Experimental
R-Factor (%): 4.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOHWEX
Authors/Journal
Authors: R.Santra, N.Ghosh, K.Biradha
Chemical
Name: bis(2,6-bis(3-Pyridylmethylene)cyclohexanone) trimesic acid
Synonym:
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.07
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOJMOZ
Authors/Journal
Chemical
Name: 2-Amino-4,6-dimethylpyrimidine 2-(acetoxy)benzoic acid
Synonym: 2-Amino-4,6-dimethylpyrimidine aspirin
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 13.56
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOJNAM
Authors/Journal
Chemical
Name: 2-Amino-4,6-dimethylpyrimidine 2,3-difluorobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.72
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOJNIU
Authors/Journal
Chemical
Name: 2-Amino-4,6-dimethylpyrimidine 2,5-dimethylbenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.99
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOJNUG
Authors/Journal
Chemical
Name: 2-Amino-4,6-dimethylpyrimidine bis(3,4-dimethylbenzoic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.66
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOJRAS
Authors/Journal
Authors: Wanli Tian, TingtingLin, Hua Chen, Weizhi Wang
Chemical
Formula: C42 H28,0.5(C4 H10)
Name: 9,9'-(1,2-diphenylethene-1,2-diyl)diphenanthrene butane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 19.66
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOKBOO
Authors/Journal
Authors: Zhimin Jin, Duanjun Xu, Yuanjiang Pan, Yuanzhi Xu, M.Yen-Nan
Chiang
Chemical
Name: bis(4-Methylphenol) piperazine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XOKTOI
Authors/Journal
Authors: R.Kaur, B.V.Lalithalakshmi, T.N.Guru Row
Chemical
Name: 3,4-dihydroxybenzoic acid sesquikis(1,3,5,7-
tetraazatricyclo[3.3.1.1$3,7!]decane)
Synonym: 3,4-dihydroxybenzoic acid sesquikis(hexamine)
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.31
Temperature: 298
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOLHOW
Authors/Journal
Authors: B.R.Bhogala, S.K.Chandran, L.S.Reddy, R.Thakuria, A.Nangia
Chemical
Name: cis,cis-1,3,5-Cyclohexanetricarboxylic acid bis(4(3H)-
pyrimidinone)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.33
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOLHUC
Authors/Journal
Authors: D.Braga, G.Palladino, M.Polito, K.Rubini, F.Grepioni,
M.R.Chierotti, R.Gobetto
Chemical
Name: Heptane-1,7-dioic acid 4,4'-bipyridine
Synonym: Pimelic acid 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.74
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOLHUC01
Authors/Journal
Chemical
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOLHUC02
Authors/Journal
Chemical
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.93
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOMZEG
Authors/Journal
Authors: S.J.Jennifer, P.T.Muthiah
Journal: Chem.Cent.J. , 8, 20, 2014
Chemical
Formula: C6 H9 N3,2(C5 H3 Cl1 O2 S1)
Name: bis(5-Chlorothiophene-2-carboxylic acid) 4,6-
dimethylpyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOMZOQ
Authors/Journal
Chemical
Name: Thiophene-2,5-dicarboxylic acid 4,6-dimethylpyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.51
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XONBAF
Authors/Journal
Chemical
Name: 5-chlorothiophene-2-carboxylic acid N-benzyl-9H-purin-6-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XONBEJ
Authors/Journal
Chemical
Name: 5-chlorothiophene-2-carboxylic acid acridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.01
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XONBIN
Authors/Journal
Chemical
Name: bis(5-chlorothiophene-2-carboxylic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.85
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XONBOT
Authors/Journal
Chemical
Name: bis(thiophene-2-carboxylic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XONBUZ
Authors/Journal
Chemical
Name: bis(5-chlorothiophene-2-carboxylic acid) 4,4'-propane-1,3-
diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.71
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XONCIO
Authors/Journal
Chemical
Formula: C10 H8 N2 O2,2(C5 H3 Cl1 O2 S1)
Name: 5-chlorothiophene-2-carboxylic acid 4,4'-bipyridine-1,1'-
dioxide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.52
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XONCUA
Authors/Journal
Chemical
Name: bis(thiophene-2-carboxylic acid) 4,4'-propane-1,3-
diyldipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.08
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XORMUM
Authors/Journal
Authors: P.Gangopadhyay, T.P.Radhakrishnan
Chemical
Name: cis,cis-1,3,5-Cyclohexanetricarboxylic acid tris(urea)
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOSGET
Authors/Journal
Authors: M.Szafran, A.Komasa, K.Ostrowska, A.Katrusiak, Z.Dega-Szafran
Chemical
Name: N,N-Dimethyl-N-phenylbetaine 2,6-dichloro-4-nitrophenol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.41
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOTYOV
Authors/Journal
Authors: L.-L.Lai, L.-J.Lee, D.-W.Luo, Y.-H.Liu, Y.Wang
Chemical
Name: bis(4-Ethoxybenzoic acid) 1,4-bis(4-pyridinyl)piperazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.39
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOTYOV01
Authors/Journal
Authors: L.M.Henling, R.E.Marsh
Chemical
Name: bis(4-Ethoxybenzoic acid) 1,4-bis(4-pyridinyl)piperazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOTYUB
Authors/Journal
Authors: L.-L.Lai, L.-J.Lee, D.-W.Luo, Y.-H.Liu, Y.Wang
Chemical
Name: bis(4-Ethoxybenzoic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.81
Temperature: 295
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOTYUB02
Authors/Journal
Authors: L.M.Henling, R.E.Marsh
Chemical
Name: bis(4-ethoxybenzoic acid) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Density (CCDC): 1.3
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOVROP
Authors/Journal
Authors: V.Daga, S.K.Hadjikakou, N.Hadjiliadis, M.Kubicki, J.H.Z.dos
Santos, I.S.Butler
Journal: Eur.J.Inorg.Chem. , , 1718, 2002
Chemical
Formula: C7 H5 I2 N1 S2,I2
Name: Benzothiazole-2-thione-(di-iodine) di-iodine
Synonym:
Source:
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.55
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOYWAM
Authors/Journal
Authors: Q.Qin, J.T.Mague, H.E.Gould, S.E.Vasquez, A.E.Heyer
Chemical
benzo[1,2-c:3,4-c':5,6-c'']tristhiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.37
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XOZJAY
Authors/Journal
Authors: N.Zhang, X.-M.Shi, M.Shao, M.-X.Li
Chemical
Name: 1,2,3,4-Butanetetracarboxylic acid bis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.06
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUBJOW
Authors/Journal
Authors: Dipali Ahuja, K.K.Ramisetty, K.S.Peraka, C.Crowley, M.Lusi,
A.Rasmuson
Chemical
Name: sulfamerazine anthranilic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information: sulfamerazine is an antibacterial agent
Experimental
R-Factor (%): 4.09
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUGPAQ
Authors/Journal
Authors: P.D.Robinson, K.R.Smith, L.A.Vermeulen
Chemical
Formula: C14 H16 N2 O6 S2,2(C6 H6 O2)
Name: 2,2'-(4,4'-Bipyridinium-1,1'-diyl)-bis(ethanesulfonate)
bis(hydroquinone)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.3
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUGWUU
Authors/Journal
Chemical
Name: pregn-4-ene-3,20-dione 2-chloro-4-nitroaniline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUGXEF
Authors/Journal
Chemical
Name: pregn-4-ene-3,20-dione [1,1'-biphenyl]-4,4'-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.16
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUHGEP
Authors/Journal
Authors: V.Kumar, Yijue Xu, D.L.Bryce
Chemical
Formula: C12 H8 N2,C4 N4 Se1
Name: 1,2,5-selenadiazole-3,4-dicarbonitrile 1,10-phenanthroline
Synonym:
Source:
Melting Point:
Extra Information: Cocrystallization
Experimental
R-Factor (%): 3.28
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUHHAM
Authors/Journal
Chemical
Formula: 2(C5 H5 N1 O1),C4 N4 Te1
Name: 1,2,5-telluradiazole-3,4-dicarbonitrile pyridine N-oxide
Synonym:
Source:
Melting Point:
Experimental
R-Factor (%): 2.32
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUHNUJ
Authors/Journal
Authors: R.Bertani, P.Metrangolo, A.Moiana, E.Perez, T.Pilati,
G.Resnati, I.Rico-Lattes, A.Sassi
Journal: Adv.Mater. , 14, 1197, 2002
Chemical
Name: 1,3-bis(4-Pyridyl)propane 1,8-di-iodoperfluoro-octane
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.67
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUHTEC
Authors/Journal
Chemical
Formula: C10 H8 N2,2(C4 N4 Se1)
Name: bis(1,2,5-selenadiazole-3,4-dicarbonitrile) 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Experimental
R-Factor (%): 5.0
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUHTIG
Authors/Journal
Chemical
Name: 1,2,5-selenadiazole-3,4-dicarbonitrile pyridine N-oxide
Synonym:
Source:
Melting Point:
Experimental
R-Factor (%): 2.69
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUMJUN
Authors/Journal
Authors: K.L.Jyothi, K.Kumara, M.K.Hema, Mahesha, R.Gautam, T.N.Guru
Row, N.K.Lokanath
Chemical
Name: 3,4,5-trihydroxybenzoic acid pyridin-2(1H)-one
Synonym: gallic acid 2-hydroxypyridine
Source:
Melting Point:
Colour: light brown
Extra Information:
Experimental
R-Factor (%): 5.34
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUNCIV
Authors/Journal
Authors: niu huihui
Chemical
Name: 6-hydroxynaphthalene-2-carboxylic acid pregn-4-ene-3,20-dione
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.38
Temperature: 298
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: XUTLIH
Authors/Journal
Authors: T.Itaya, N.Azuma, K.Inoue
Chemical
Formula: C36 H36 N9 O6 P3,2(C16 H10 O4)
Name: 2,2,4,4,6,6-hexakis(4-Pyridylmethoxy)-
2lambda$5!,4lambda$5!,6lambda$5!-cyclotriphosphazene bis(1,4-anthracenedicarboxylic
acid)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 8.6
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUTWUG
Authors/Journal
Authors: A.V.Safrygin, R.A.Irgashev, P.A.Slepukhin, G.-V.Roschenthaler,
Vyacheslav Y.Sosnovskikh
Chemical
Formula: C12 H9 F3 N2 O1,C11 H7 F3 O3
Name: 1-Methyl-6-phenyl-3-(trifluoromethyl)pyridazin-4(1H)-one 2-
hydroxy-5-phenyl-2-(trifluoromethyl)furan-3(2H)-one
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUWZAT
Authors/Journal
Authors: N.Sandhu, Atul Pratap Singh, A.Saxena, S.K.Pandey, K.Kumar,
Ashish Pratap Singh, R.K.Yadav
Chemical
Formula: 2(C25 H16 N2 O4 S1),C10 H10 O2 S2
Name: bis(3',6'-dihydroxy-2-{[(thiophen-3-
yl)methylidene]amino}spiro[isoindole-1,9'-xanthen]-3(2H)-one) 3,3'-
[peroxybis(methylene)]dithiophene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.7
Temperature: 298
Density (CCDC): 1.4
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUYBUQ01
Authors/Journal
326, 2016
Chemical
Formula: 2(C6 H6 O3),3(C8 H12 N2)
Name: bis(Benzene-1,3,5-triol) tris(tetramethylpyrazine)
Synonym: bis(Phloroglucinol) tris(2,3,5,6-tetramethylpyrazine)
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 7.08
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUYKIM
Authors/Journal
Authors: Chun Zhang, Chuan-Feng Chen
Chemical
Name: 2,7,14-trihydroxytriptycene bis(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.85
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XUZHIM
Authors/Journal
T.B.Marder
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 6.76
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YABNEY
Authors/Journal
Authors: G.Bolla, Qing Liao, S.Amirjalayer, Zeyi Tu, Shaokai Lv, Jie
Liu, Shuai Zhang, Yonggang Zhen, Yuanping Yi, Xinfeng Liu, Hongbing Fu, H.Fuchs,
Huanli Dong, Zhaohui Wang, Wenping Hu
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-di-iodobenzene 4,4'-(anthracene-2,6-
diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.94
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YACNOF
Authors/Journal
Chemical
Name: 4-Aminobenzoic acid 2,4-dichlorophenoxy-acetic acid
Synonym:
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 7.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YACNUL
Authors/Journal
Chemical
Name: Triphenylphosphine oxide 2,4-dichlorophenoxy-acetic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YACYEK
Authors/Journal
Authors: D.Enkelmann, G.Lipinski, K.Merz
Journal: Eur.J.Inorg.Chem. , 2021, 3367, 2021
Chemical
Name: bis(2-cyanopyridine) adipic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.07
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YACYIO
Authors/Journal
Authors: D.Enkelmann, G.Lipinski, K.Merz
Journal: Eur.J.Inorg.Chem. , 2021, 3367, 2021
Chemical
Name: bis(4-cyanopyridine) adipic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YADSEE
Authors/Journal
Authors: U.H.Patel, K.P.Purohit
Chemical
Name: 4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide 3-
methylpyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.66
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAFJUK
Authors/Journal
Authors: J.A.Lowe III, S.E.Drozda, R.M.Snider, K.P.Longo, S.H.Zorn,
J.Morrone, E.R.Jackson, S.McLean, D.K.Bryce, J.Bordner, A.Nagahisa, Y.Kanai,
O.Suga, M.Tsuchiya
Chemical
Formula: C28 H32 N2 O1,2(C1 H4 O3 S1)
Name: cis-2-(Diphenylmethyl)-N-((2-methoxyphenyl)methyl)-1-
azabicyclo(2.2.2)octan-3-amine bis(methanesulfonic acid)
Synonym:
Source:
Colour:
Extra Information: Substance P antagonist activity; Moisture-sensitive
Experimental
R-Factor (%): 12.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: The coordinates of C29 have been calculated
REFCODE: YAFKOI
Authors/Journal
Authors: Yingjie Liu, Suqian Ma, Bin Xu, Wenjing Tian
Chemical
Name: 4-(2-(10-(2-(pyridin-4-yl)vinyl)-9-anthryl)vinyl)pyridine
1,3,5-trifluoro-2,4,6-tri-iodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information: , Luminescent; , Efflorescent
Experimental
R-Factor (%): 4.62
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAFKOI01
Authors/Journal
Authors: Yingjie Liu, Suqian Ma, Bin Xu, Wenjing Tian
Chemical
Name: 4-(2-(10-(2-(pyridin-4-yl)vinyl)-9-anthryl)vinyl)pyridine
1,3,5-trifluoro-2,4,6-tri-iodobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information: , Luminescent; , Efflorescent
Experimental
R-Factor (%): 3.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAFVOS
Authors/Journal
Authors: Xuehua Ding, Shi Wang, Wenrui He, Wei Huang
Chemical
Name: 3-Aminobenzonitrile 3,5-dinitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAFZAG
Authors/Journal
Authors: T.Mori, H.Inokuchi
Chemical
Name: Tetrathiafulvalene 2,5-bis(methylthio)-p-benzoquinone bis(N-
cyanoimine)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YAFZAG01
Authors/Journal
Authors: F.H.Herbstein, R.E.Marsh
Chemical
Name: Tetrathiafulvalene 2,5-bis(methylthio)-p-benzoquinone bis(N-
cyanoimine)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YAGVIL01
Authors/Journal
Authors: R.E.Marsh
Chemical
Formula: C84 H80 N8 O8,2(C6 H5 F1)
Name: 9,11,13,15-Tetrahexyl-7,17:8,16-dimetheno 9H,11H,13H,15H-
quinoxalino(2''',3''':2''',3''')(1,4)benzodioxonino (10''',9''':5,6)quinoxalino-
(2',3':2',3')quinoxalino(2'',3'':2'',3'')(1,4) dioxonino-(6'',5'':9',10')
(1,4)benzodioxonino(6',5':9,10)(1,4) benzodioxonino(2,3-b)quinoxaline
bis(fluorobenzene)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YAHFOC
Authors/Journal
Authors: E.Giorgini, G.Tosi, G.Bocelli
Chemical
Formula: C10 H12 N2 O1,0.5(C6 N4)
Name: 2,3-Butane-dione-monophenylhydrazone tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YAHLAU
Authors/Journal
Authors: M.Delgado, R.E.Wolf Junior, J.R.Hartman, G.McCafferty,
R.Yagbasan, S.C.Rawle, D.J.Watkin, S.R.Cooper
Chemical
Formula: C42 H64 K2 N2 O14 S2,C42 H64 K2 N2 O14 S2
Name: bis(mu!2$-Isothiocyanato)-bis((18,20-dimethyl-19,21-dimethoxy-
3,6,9,12,15-pentaoxabicyclo(15.3.1)henicosa-1(21),17,19-triene)-potassium) bis((mu!
2$-18,20-dimethyl-19,21-dimethoxy-3,6,9,12,15-pentaoxabicyclo(15.3.1) henicosa-
1(21),17,19-triene)-O,O')-bis(isothiocyanato-potassium)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.23
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YAHNOM
Authors/Journal
Authors: Ji-lin Lu, Xue-wen Liu, Lin Li, Yuan-dao Chen, Guang-yu Shen
Chemical
Name: N,N'-bis(Pyridin-3-yl)terephthalamide terephthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.95
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAHQEF
Authors/Journal
Authors: Yan-Ke Jiang, Gui-Ge Hou
Chemical
Name: Benzene-1,4-diol 5-(1H-imidazol-1-yl)pyrimidine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAHYEP
Authors/Journal
Authors: P.P.Mazzeo, M.Pioli, F.Montisci, A.Bacchi, P.Pelagatti
Chemical
Formula: C24 H12 N4 O4,C12 H8 I2
Name: 2,7-bis(pyridin-4-yl)benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone 4,4'-diiodo-1,1'-biphenyl
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAHYIT
Authors/Journal
Chemical
1,3,6,8(2H,7H)-tetrone iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.99
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAHYOZ
Authors/Journal
Chemical
1,3,6,8(2H,7H)-tetrone 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAHYUF
Authors/Journal
Chemical
Formula: C24 H12 N4 O4,C6 H4 I2
1,3,6,8(2H,7H)-tetrone 1,4-diiodobenzene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.74
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YALDUN
Authors/Journal
Authors: S.Bhattacharya, S.Bhattacharjee
Journal: Langmuir , 32, 4270, 2016
Chemical
Name: 4,4'-((2,5-dibutoxy-1,4-phenylene)diethene-2,1-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YALKEB
Authors/Journal
Authors: S.J.Geib, C.Vicent, E.Fan, A.D.Hamilton
Chemical
Name: 1,3-bis(((6-Methylpyrid-2-yl)amino)carbonyl)benzene
heptanedioic acid
Synonym: 1,3-bis(((6-Methylpyrid-2-yl)amino)carbonyl)benzene pimelic
acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.11
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YALKIF
Authors/Journal
Authors: S.J.Geib, C.Vicent, E.Fan, A.D.Hamilton
Chemical
Name: 1,3-bis(((6-Methylpyridy-2-yl)amino)carbonyl)-benzene glutaric
acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.32
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YAMPIM
Authors/Journal
Authors: Mao-Lin Hu, Zhi-Min Jin, Ya-Juan Zhao, Di-Mei Chen, Shun Wang,
Xiao-Qing Cai
Chemical
Name: Tetramethylpyrazine bis(endo-norbornene-cis-5,6-dicarboxylic
acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: tetramethylpyrazine exhibits antiplatelet activity
Experimental
R-Factor (%): 9.62
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YANBEX
Authors/Journal
E.M.Vazquez-Lopez
Chemical
Name: 2-[1-(2,4-dihydroxyphenyl)ethylidene]-N-methylhydrazine-1-
carbothioamide 4,4'-(ethene-1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YANCAU
Authors/Journal
E.M.Vazquez-Lopez
Chemical
Name: bis(2-[1-(2,4-dihydroxyphenyl)ethylidene]-N-methylhydrazine-1-
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.3
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YARNAG
Authors/Journal
Authors: R.D.Calleja, P.J.Klar, E.S.Martinez, J.Behrens, J.Kudnig,
G.Klar
Chemical
Formula: C16 H16 O4 Se1,C6 N4
Name: 2,4,6,8-Tetramethoxydibenzoselenophene tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.61
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YARNEK
Authors/Journal
Authors: R.D.Calleja, P.J.Klar, E.S.Martinez, J.Behrens, J.Kudnig,
G.Klar
Chemical
Name: 2,4,6,8-Tetramethoxydibenzoselenophene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 7.88
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Average bond lengths are deposited
REFCODE: YASGAC
Authors/Journal
Authors: G.Springuel, B.Norberg, K.Robeyns, J.Wouters, T.Leyssens
Chemical
Name: 2,4-Dihydroxybenzoic acid 2-(2-oxopyrrolidin-1-yl)butanamide
Synonym: Levetiracetam 2,4-dihydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information: for racemate see [XOGMUD]
Experimental
R-Factor (%): 3.3
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YASGIK
Authors/Journal
Authors: G.Springuel, B.Norberg, K.Robeyns, J.Wouters, T.Leyssens
Chemical
Name: Hydroxy(phenyl)acetic acid 2-(2-oxopyrrolidin-1-yl)butanamide
Synonym: Levetiracetam S-mandelic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YASKEJ
Authors/Journal
Authors: H.S.Wilkinson, W.T.A.Harrison
Journal: Acta Crystallogr.,Sect.C:Cryst.Struct.Commun. , 61, m253, 2005
Chemical
Formula: C4 H9 N1 O3,H3 As1 O4
Name: DL-threonine arsenic acid
Synonym: DL-threo-alpha-amino-beta-hydroxy-n-butyric acid arsenic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAVXEA
Authors/Journal
Chemical
Name: 9-(Dicyanomethylidene)fluorene tetrathiafulvalene
Synonym:
Source:
Colour: green
Extra Information:
Experimental
R-Factor (%): 4.81
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAWLIR
Authors/Journal
Authors: Huan Zhen-Wei, Yao Xin-Kan, Wang Ru-Ji, Wang Hong-Gen, Liu
Wei-Guo
Chemical
Formula: 2(C36 H28),C28 H22
Name: bis(1,6,7,8-Tetraphenyl-3,4-benzo-bicyclo(4.2.0)oct-7-ene)
cis,cis-1,2,3,4-tetraphenylbutadiene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 8.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YAWQOD
Authors/Journal
Authors: S.Perruchas, K.Boubekeur, P.Molinie
Chemical
Name: tetrakis(Hydroxymethyl)tetrathiafulvalene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.72
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAWYED
Authors/Journal
Authors: T.Ono, Y.Tsukiyama, Ai Taema, Y.Hisaeda
Chemical
Name: 2,7-bis(2-benzoylphenyl)benzo[lmn][3,8]phenanthroline-
1,3,6,8(2H,7H)-tetrone p-xylene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.23
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAXDIL
Authors/Journal
Authors: M.E.Koscho, P.L.Spence, W.H.Pirkle
Chemical
Name: (3S,4S)-3-Methyl-4-(3,5-dinitrobenzoylamino)-1,2,3,4-
tetrahydrophenanthrene (R)-pivalic acid N-(1-(4-bromophenyl)ethyl) amide
Synonym:
Source:
Extra Information:
Experimental
R-Factor (%): 4.11
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAXRAS
Authors/Journal
Authors: L.Qin, L.-P.Xu, L.Han
Chemical
Name: 4,4'-Bipyridine 4,4'-(hydroxymethylene)dibenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.74
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAXSUN
Authors/Journal
Authors: K.Kapoor, V.K.Gupta, S.Paul, S.Sahi, R.Kant
Chemical
Formula: C10 H7 Br1 N4 S1,C7 H5 Br1 O2
Name: 6-(4-Bromophenyl)-3-methyl-1,2,4-triazolo[3,4-b]
[1,3,4]thiadiazole 4-bromobenzoic acid
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YEBGEU
Authors/Journal
Authors: A.V.Erkin, V.V.Gurzhii, I.V.Klaptyuk, T.V.Firsanova,
V.I.Krutikov
Chemical
Name: 1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-1H-pyrazol-5-ol 4-
chlorophenol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 11.67
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YEBZEN
Authors/Journal
Authors: A.V.Ryzhakov, V.P.Andreev, P.S.Sobolev, V.A.Tafeenko
Chemical
Name: 4-methylquinoline N-oxide hydrobromide
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.78
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YECHAQ
Authors/Journal
Authors: Miao Du, Zhi-Hui Zhang, Xiao-Jun Zhao, Hua Cai
Chemical
Name: 2,5-bis(3-Pyridyl)-1,3,4-oxadiazole fumaric acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YECHEU
Authors/Journal
Chemical
Name: 2,5-bis(4-Pyridyl)-1,3,4-oxadiazole fumaric acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.65
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YECHIY
Authors/Journal
Chemical
Name: 2,5-bis(3-Pyridyl)-1,3,4-oxadiazole suberic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.06
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YECHOE
Authors/Journal
Chemical
Name: N,N'-bis(Picolinoyl)hydrazine suberic acid
Synonym:
Source:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YECHUK
Authors/Journal
Chemical
Name: 2,5-bis(3-Pyridyl)-1,3,4-oxadiazole benzene-1,4-bis(oxyacetic
acid)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YECMIC
Authors/Journal
Authors: A.Ansorge, D.J.Brauer, H.Burger, T.Hagen, G.Pawelke
Chemical
Formula: C8 H18 B1 F6 N1 O1 Si1,2(C11 H22 B1 F6 N1 O1 Si1)
Name: 2-Methyl-3-trimethylsilyl-4-hydroxy-4-trifluoromethyl-5,5,5-
trifluoro-2-aza-4-boratapentane bis(2,2-bis(trifluoromethyl)-3-trimethylsilyl-
4,4,5,5-tetramethyl-1-oxa-4-aza-2-boratacyclopentane)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YEGFAR
Authors/Journal
Authors: D.E.Lynch, G.Smith, K.A.Byriel, C.H.L.Kennard, A.K.Whittaker,
J.V.Hanna
Chemical
Name: Triphenylphosphine oxide (4-chloro-2-methylphenoxy)acetic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information: mcpa is herbicidal agent
Experimental
R-Factor (%): 4.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YEPCOM
Authors/Journal
Authors: Miao Du, Zhi-Hui Zhang, Xiu-Guang Wang, Hui-Fang Wu, Qian Wang
Chemical
Name: N,N'-bis(3-Picolinoyl)hydrazine fumaric acid
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 4.13
Temperature: 293
Density (CCDC): 1.5
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YEPHOT
Authors/Journal
Authors: B.Yadav, S.Balasubramanian, R.B.Chavan, R.Thipparaboina,
Chemical
Formula: C10 H10 O4,C8 H5 F3 N2 O1 S1
Name: 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid 6-
(trifluoromethoxy)-1,3-benzothiazol-2-amine
Synonym: Riluzole ferulic acid
Source:
Melting Point:
Colour: colorless
Extra Information: riluzole is a drug used to slow the course of amyotrophic
lateral sclerosis; ferulic acid is a nutraceutical
Experimental
R-Factor (%): 5.47
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YEPJEL
Authors/Journal
Chemical
Name: pyrrolidin-1-ium-2-carboxylate 6-(trifluoromethoxy)-1,3-
benzothiazol-2-amine
Synonym: Riluzole proline
Source:
Melting Point:
Colour: colorless
lateral sclerosis
Experimental
R-Factor (%): 3.94
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YEPJUB
Authors/Journal
Chemical
Name: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine 4-hydroxy-3-
methoxybenzoic acid
Synonym: Riluzole vanillic acid
Source:
Melting Point:
Colour: colorless
lateral sclerosis
Experimental
R-Factor (%): 6.23
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YEPKAI
Authors/Journal
Chemical
Name: 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine trans-3-
phenylprop-2-enoic acid
Synonym: Riluzole cinnamic acid
Source:
Melting Point:
Colour: colorless
lateral sclerosis
Experimental
R-Factor (%): 5.11
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YEPRIV
Authors/Journal
Authors: Seong-Ji Kwon, O-Pil Kwon, M.Jazbinsek, V.Gramlich, P.Gunter
Chemical
Name: (3-(2-(4-(Dimethylamino)phenyl)vinyl)-5,5-dimethylcyclohex-2-
en-1-ylidene)malononitrile (3-(2-(4-(pyrrolidinyl)phenyl)vinyl)-5,5-
dimethylcyclohex-2-en-1-ylidene)malononitrile
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 9.68
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YERBOM
Authors/Journal
Authors: Y.Dobashi, A.Dobashi, Y.Iitaka
Chemical
Name: (R,R)-4,4'-bis(5-((Z)-N-Isopropylimino)-1,3-dioxalane) (S)-
1,1'-bi-2-naphthol
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 2.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YETMUF
Authors/Journal
Authors: R.J.Snow, W.W.Bachovchin, R.W.Barton, S.J.Campbell,
S.J.Coutts, D.M.Freeman, W.G.Gutheil, T.A.Kelly, C.A.Kennedy, D.A.Krolikowski,
S.F.Leonard, C.A.Pargellis, Liang Tong, J.Adams
Chemical
Formula: C19 H33 B1 N2 O3,C4 H4 O4
Name: (S)-Valylpyrrolidine-2(R)-boronate (1S,2S,3R,5S)-pinanediol
ester dihydrogen maleate
Synonym:
Source:
Colour:
Extra Information: precursor to new class of immunosuppressants
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YEVMUK
Authors/Journal
Authors: Shubhangi Kakkar, B.Bhattacharya, C.Malla Reddy, Soumyajit
Ghosh
Chemical
Name: 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione N-(5-sulfamoyl-
1,3,4-thiadiazol-2-yl)acetamide
Synonym: theophylline acetazolamide
Source:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.03
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YEVNAR
Authors/Journal
Ghosh
Chemical
Name: 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione bis(3,4-
dichlorobenzoic acid)
Synonym: theophylline bis(3,4 dichlorobenzoic acid)
Source:
Colour: white
Extra Information:
Experimental
R-Factor (%): 4.42
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YEWPAR
Authors/Journal
Authors: F.Cristiani, F.A.Devillanova, F.Isaia, V.Lippolis, G.Verani,
F.Demartin
Journal: Heteroat.Chem. , 4, 571, 1993
Chemical
Formula: C6 H12 S3,3(I2)
Name: 1,4,7-Trithiacyclononane tris(di-iodine)
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 1.9
Temperature: 295
Density (CCDC): 3.1
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YICKON
Authors/Journal
Authors: A.L.Grobelny, N.P.Rath, R.H.Groeneman
Chemical
Formula: 2(C13 H11 N1),C6 H4 Br2 O2
Name: 4,6-dibromobenzene-1,3-diol bis(4-(2-phenylethenyl)pyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.62
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes: The temperature was reported as 563 K in the cif; we have used
290 K from the paper
REFCODE: YICLAA
Authors/Journal
Chemical
Formula: 2(C13 H11 N1),C6 H4 Cl2 O2
Name: 4,6-dichlorobenzene-1,3-diol bis(4-(2-phenylethenyl)pyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.02
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YICLEE
Authors/Journal
Chemical
Name: 4,6-dichlorobenzene-1,3-diol 4,4'-(2,4-diphenylcyclobutane-
1,3-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.32
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIMYAU
Authors/Journal
Authors: M.P.McCourt, P.Strong, W.Pangborn, D.L.Dorset
Journal: J.Lipid Res. , 35, 584, 1994
Chemical
Name: Cholesteryl caprate cholesteryl laurate
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 13.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: z(O282) is 0.8019 not 0.0819
REFCODE: YIMZAY
Authors/Journal
Authors: Hao Sun, Arshad Khan, R.Usman, Mingliang Wang
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile bis(3-(anthracen-9-yl)-1-
phenylprop-2-en-1-one)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.01
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIMZIG
Authors/Journal
Chemical
Formula: 2(C24 H18 O2),3(C10 H2 N4)
Name: tris(benzene-1,2,4,5-tetracarbonitrile) bis(3-(anthracen-9-
yl)-1-(4-methoxyphenyl)prop-2-en-1-one)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIMZOM
Authors/Journal
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile bis(3-(anthracen-9-yl)-1-
(naphthalen-1-yl)prop-2-en-1-one)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 5.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YINWAV
Authors/Journal
Authors: F.A.Martin, M.M.Pop, G.Borodi, Xenia Filip, I.Kacso
Chemical
Name: 1-(4-(4-((2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-
1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethanone trans-but-2-enedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 7.1
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YINWID
Authors/Journal
Authors: F.A.Martin, M.M.Pop, G.Borodi, Xenia Filip, I.Kacso
Chemical
Name: 1-(4-(4-((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-
1,3-dioxolan-4-yl)methoxy)phenyl)piperazin-1-yl)ethanone hexanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YINZOM
Authors/Journal
Authors: A.F.Lashua, T.M.Smith, Hegui Hu, Lihui Wei, D.G.Allis,
M.B.Sponsler, B.S.Hudson
Chemical
Formula: C4 H4 I2,6(C1 H4 N2 O1)
Name: 1,4-diiodobuta-1,3-diene hexaurea
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.24
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIPCEG
Authors/Journal
Authors: C.B.Aakeroy, J.Desper, B.A.Helfrich, P.Metrangolo, T.Pilati,
G.Resnati, A.Stevenazzi
Chemical
Name: Isonicotinamide iodine
Synonym:
Source:
Melting Point: about 100 deg.C
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.8
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: The co-crystal has a strong intermolecular N...I bond of
2.439A
REFCODE: YIPCIK
Authors/Journal
Authors: C.B.Aakeroy, J.Desper, B.A.Helfrich, P.Metrangolo, T.Pilati,
G.Resnati, A.Stevenazzi
Chemical
Name: bis(Isonicotinamide) p-tetrafluorodi-iodobenzene
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIPPUI
Authors/Journal
Authors: R.Thiergardt, G.Rihs, P.Hug, H.H.Peter
Chemical
Formula: C20 H17 I1 O7,C4 H10 O1
Name: 4alpha,5beta,6beta,8beta-Tetrahydroxy-7alpha-iodo-9-
(spirodioxy-1',8'-naphthyl)-2,3-dehydro-1-decalone
Synonym:
Source:
Colour: colorless
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIPQIA
Authors/Journal
Authors: G.N.A.Sowmya, A.Kumar
Chemical
Name: 2-fluorobenzoic acid pyridine-4-carbonitrile
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.19
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIRREZ
Authors/Journal
Authors: G.N.A.Sowmya, A.Kumar
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.62
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YISKAO
Authors/Journal
Authors: A.M.Gazaliev, M.Zh.Zhirinov, O.A.Nurkenov, K.M.Turdybekov,
S.V.Lindeman, Yu.T.Struchkov
Chemical
Formula: C14 H24 N2 O1 P1 S1,C14 H23 N2 O1 P1 S1
Name: O-(2-(Methylamino)-1-phenylpropyl) N,N-
diethylphosphonamidothioate N,N-diethyl-3,4-dimethyl-5-phenyl-1,3,2-
oxazaphospholidin-2-amine 2-sulfide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.2
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YISRUQ
Authors/Journal
Authors: Junxia Li, Ronglin Pang, Zhifang Li, Guoqiao Lai, Xu-Qiong
Xiao, T.Muller
Chemical
Formula: C2 H14 B10 N2,2(C7 H9 N1 O2 S1)
Name: 1,2-diamino-o-carborane bis(4-methylbenzene-1-sulfonamide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YISZUV
Authors/Journal
Authors: A.A.Akhrem, A.I.Verenich, N.M.Galitskii, V.A.Tereshko,
A.A.Govorova, L.I.Ukhova, N.F.Marchenko
1993
Chemical
Name: 1,2e-Dimethyl-4a-ethynyl-4e-hydroxy-trans-decahydroquinoline
N-oxide hydrobromide
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Cell parameter c reported as 13.512; we calculate 13.912
REFCODE: YIWNEA
Authors/Journal
Authors: Zhen-Tao Lu, Zong-Dong Sun, Yang Chi, Huai-Guo Xue, Sheng-Ping
Guo
Chemical
Formula: 3(S8),As1 I3
Name: tri-iodoarsine tris(octathiocane)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 1.66
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIZGIA
Authors/Journal
Authors: Ya-Xuan Zhang, Ling-Yang Wang, Jin-Kai Dai, Fang Liu, Yan-Tuan
Li, Zhi-Yong Wu, Cui-Wei Yan
Chemical
Name: N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide 1,3-dimethyl-
3,7-dihydro-1H-purine-2,6-dione
Synonym: acetazolamide theophylline
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.47
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIZQAA
Authors/Journal
Authors: R.Lucaciu, C.Ionescu, A.Wildervanck, M.R.Caira
Chemical
Formula: C12 H14 N4 O2 S1,C7 H5 Cl1 O2
chlorobenzoic acid
Synonym: Sulfadimidine p-chlorobenzoic acid; Sulfamethazine p-
chlorobenzoic acid
Source:
Colour: colorless
Extra Information: sulfadimidine is an antibacterial drug
Experimental
R-Factor (%): 3.86
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIZREF
Authors/Journal
Authors: E.Asker, J.Masnovi
Chemical
Formula: C28 H24 N2,2(C6 N4)
Name: 9,9'-Diethyl-9H,9'H-3,3'-bicarbazolyl bis(1,1,2,2-
tetracyanoethylene)
Synonym:
Source:
Melting Point:
Colour: dark blue
Extra Information:
Experimental
R-Factor (%): 9.84
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIZXEL
Authors/Journal
Authors: S.Marivel, E.Suresh, V.R.Pedireddi
Chemical
Name: Cyanuric acid 1,3-bis(4-pyridyl)propane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.95
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIZXIP
Authors/Journal
Chemical
Name: bis(Cyanuric acid) phenazine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.38
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YIZXOV
Authors/Journal
Chemical
Name: Cyanuric acid 1,7-phenanthroline
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.27
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOCZIB
Authors/Journal
Authors: Lei Wang, Yanjing Hu, Wenqiang Wang, Faqian Liu, Keke Huang
Chemical
Name: 2,6-Dimethylpyrazine 2,3,5,6-tetrafluoroterephthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.37
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOCZUL
Authors/Journal
Authors: H.Koshima, K.Ding, Y.Chisaka, T.Matsuura
Chemical
Name: (S)-(+)-2-(6-Methoxy-2-naphthyl)propanoic acid 1,2,4,5-
tetracyanobenzene
Synonym: Naproxen 1,2,4,5-tetracyanobenzene
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: Bond table omitted because labelling inconsistent with
coordinate labelling
REFCODE: YODBEA
Authors/Journal
Authors: Lei Wang, Yanjing Hu, Wenqiang Wang, Faqian Liu, Keke Huang
Chemical
Name: 2,3-Dimethylpyrazine 2,3,5,6-tetrafluoroterephthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YODBIF
Authors/Journal
Authors: C.Cruz-Hernandez, J.M.Landeros, E.Juaristi
Chemical
Formula: C30 H32 N5 O1 P1,C30 H32 N5 O1 P1
Name: 1,3-bis[1-(naphthalen-2-yl)ethyl]-2-(triazan-2-yl)octahydro-
1H-1,3,2lambda$5!-benzodiazaphosphol-2-one 3-{1,3-bis[1-(naphthalen-2-yl)ethyl]-2-
oxooctahydro-1H-1,3,2lambda$5!-benzodiazaphosphol-2-yl}triaza-1,2-dien-2-ium-1-ide
Synonym: (1S,2S,1'R,2'R)-Azide
Source:
Colour: colorless
Experimental
R-Factor (%): 7.01
Temperature: 293
Intensity Meas: 3
Disorder:
Extra Information: absolute configuration; 293.1 K
CCDC Notes: There appears to be some issues with the structure. Full
curation of this structure is expected in future data updates
REFCODE: YODYAR
Authors/Journal
Authors: S.N.Mitra, E.Subramanian
Journal: Curr.Sci. , 65, 980, 1993
Chemical
Name: L-Phenylalanylglycine trichloroacetate
Synonym: PEPSEQ A=2 PHE-GLY
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YOGKOX
Authors/Journal
Authors: Jian He, Aisen Li, Ning Chu, Zhixiang Wang, Shuping Xu, Jing
Wang, houyu Zhang, JingSheng Yu, Weiqing Xu
Journal: Thin Solid Films , 685, 263, 2019
Chemical
Formula: C13 H14 N2,0.75(C6 F3 I3)
Name: 4,4'-(propane-1,3-diyl)dipyridine 1,3,5-trifluoro-2,4,6-
triiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.01
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOGROE
Authors/Journal
Journal: Chem.Papers , 73, 2821, 2019
Chemical
Name: bis(5-(Hydroxyimino)pyrimidine-2,4,6(1H,3H,5H)-trione) 4H-
1,2,4-triazol-4-amine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 12.39
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOGROE01
Authors/Journal
Journal: Chem.Papers , 73, 2821, 2019
Chemical
Name: bis(5-(hydroxyimino)pyrimidine-2,4,6(1H,3H,5H)-trione) 4H-
1,2,4-triazol-4-amine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 10.89
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOLJIS
Authors/Journal
Authors: C.Crean, J.F.Gallagher, A.C.Pratt
Chemical
Name: 2,2'-(2,3-Dihydro-2-(prop-2-enyl)-1H-isoindole-1,3-
diylidene)bis(propanedinitrile) 1,1',3,3'-tetrathiafulvalene
Synonym:
Source:
Colour: dark green
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOMKAN
Authors/Journal
Authors: M.I.M.Tahir, N.H.Rees, S.J.Heyes, A.R.Cowley, K.Prout
Chemical
Name: 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid (1S)-(+)-
1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione
Synonym: Deoxycholic acid S-camphorquinone
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YONCOT
Authors/Journal
Authors: H.Adams, F.J.Carver, C.A.Hunter
Chemical
Name: bis(12,18,30,36,37,40,43,45-Octamethyl-15,33-
bis(pentamethylene)-3,9,21,27-tetraoxo-2,10,20,28-tetra-
azaheptacyclo(32.2.2.2$11,14!.2$16,19!.2$29,32!.1$4,8!.1$22.26!)hexatetraconta-
4,6,8(39),11,13,16,18,22,24,26(44),29,31,34,36(1),37,40,42,45-octadecaene)-catenane
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 17.23
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YONDAH
Authors/Journal
Authors: Tung-Hu Tsai, Lie-Chwen Lin
Chemical
Name: (2R,3R,4R,5R)-3-Hydroxy-5-hydroxymethyl-2-(4-methoxyphenyl)-
1,1-dimethylpyrrolidine-4-yl 3-methylbut-2-enoate hydrochloride
Synonym: (2R,3R,4R,5R)-Codonopyrrolidium A hydrochloride
Source: root of Codonopsis tangshen OLIV. (Campanulaceae)
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YORVEJ
Authors/Journal
Authors: D.P.Kale, B.Ugale, C.M.Nagaraja, G.Dubey, P.V.Bharatam,
A.K.Bansal
Chemical
Name: bis(5-chloro-N-({2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-
oxazolidin-5-yl}methyl)thiophene-2-carboxamide) propanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 4.01
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOSMOI
Authors/Journal
Authors: M.R.Caira
Chemical
Name: 5-Methoxysulfadiazine acetylsalicyclic acid
Synonym: 5-Methoxysulfadiazine aspirin
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YOTSIJ
Authors/Journal
Authors: A.P.Monte, D.Marona-Lewicka, A.Kanthasamy, E.Sanders-Bush,
D.E.Nichols
Chemical
Name: N-((S)-2-Hexyl)-9,10-didehydro-6-methylergoline-8beta-
carboxamide hydrobromide
Synonym: (S)-2-Pentyl-d-lysergic acid amide hydrobromide
Source:
Melting Point: 220 deg.C(dec)
Colour:
Extra Information:
Experimental
R-Factor (%): 4.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YOTSOR
Authors/Journal
Authors: V.Nagarajan, V.R.Pedireddi
Chemical
Name: 1,3,5-triazinane-2,4,6-trithione 4,4'-bipyridine
Synonym: Trithiocyanuric acid 4,4'-bipyridine
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.21
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOTSUX
Authors/Journal
Chemical
Name: 1,3,5-triazinane-2,4,6-trithione 1,7-phenanthroline
Synonym: Trithiocyanuric acid 1,7-phenonthroline
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.95
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOTTAE
Authors/Journal
Chemical
Name: 1,3,5-triazinane-2,4,6-trithione 1,7-phenanthroline
Synonym: Trithiocyanuric acid 1,7-phenanthroline
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.54
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOTTEI
Authors/Journal
Chemical
Name: 1,3,5-triazinane-2,4,6-trithione 4,4'-ethane-1,2-
diyldipyridine
Synonym: Trithiocyanuric acid 1,2-bis(4-pyridyl)ethane
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 8.12
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOVDOE
Authors/Journal
Chemical
Name: 1,3,5-triazinane-2,4,6-trithione 4,4'-ethane-1,2-
diyldipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.16
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOVMAA
Authors/Journal
Authors: Dezhi Yang, Ruonan Wang, Guimin Jin, Baoxi Zhang, Li Zhang,
Yang Lu, Guanhua Du
Chemical
Name: 1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one 1H-
1lambda$6!,2-benzothiazole-1,1,3(2H)-trione
Synonym: antipyrine saccharin; Phenazone saccharin
Source:
Melting Point:
Colour: colorless
Extra Information: phenazone has been used as an analgesic, a nonsteroidal anti-
inflammatory drug (NSAID) and an antipyretic
Experimental
R-Factor (%): 5.91
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOVMEE
Authors/Journal
Yang Lu, Guanhua Du
Chemical
Formula: C13 H17 N3 O1,0.5(C4 H4 O4)
Name: 4-(dimethylamino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-
pyrazol-3-one hemikis(but-2-enedioic acid)
Synonym: aminophenazone hemikis(fumaric acid)
Source:
Melting Point:
Colour: colorless
Extra Information: aminophenazone has been used as an analgesic, a nonsteroidal
anti-inflammatory drug (NSAID) and an antipyretic
Experimental
R-Factor (%): 4.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOVMUU
Authors/Journal
Yang Lu, Guanhua Du
Chemical
Formula: C11 H12 N2 O1,0.5(C4 H4 O4)
Name: 1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
hemikis(but-2-enedioic acid)
Synonym: antipyrine hemikis(fumaric acid); phenazone hemikis(fumaric
acid)
Source:
Melting Point:
Colour: colorless
Extra Information: phenazone has been used as an analgesic, a nonsteroidal anti-
inflammatory drug (NSAID) and an antipyretic
Experimental
R-Factor (%): 3.81
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOZBAT
Authors/Journal
Authors: K.L.Jyothi, R.Gautam, D.Swain, T.N.G.Row, N.K.Lokanath
Chemical
Name: 3,4,5-trihydroxybenzoic acid urea
Synonym: gallic acid urea
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 5.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YOZHON
Authors/Journal
Authors: Liping Niu, Shunkai Xing, Xiaoliu Li, Hua Chen
Journal: Youji Huaxue(Chin.)(Chin.J.Org.Chem.) , 39, 771, 2019
Chemical
Formula: C14 H13 F1 N2 O2 S1,0.5(C1 O2)
Name: 10-fluoro-2,3,13a,13b-tetrahydro-1H,8H-
pyrrolo[2',1':3,4]pyrazino[2,1-b][1,3]benzothiazine-5,8(6H)-dione hemikis(carbon
dioxide)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.13
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUCBUW
Authors/Journal
Authors: Shanhu Sun, Haobin Zhang, Jinjiang Xu, Shumin Wang, Chunhua
Zhu, Hongfan Wang, Ruiqin Ding, Zhihui Yu, Jie Sun
Chemical
Name: 2-nitroaniline 1-methoxy-2,4-dinitrobenzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 9.94
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUCCAD
Authors/Journal
Authors: Shanhu Sun, Haobin Zhang, Jinjiang Xu, Shumin Wang, Chunhua
Zhu, Hongfan Wang, Ruiqin Ding, Zhihui Yu, Jie Sun
Chemical
Name: 1-methoxy-2,4-dinitrobenzene 1,3-dinitrobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUCQUJ
Authors/Journal
Authors: Zhi-Hui Zhang, Xue Tan, Sheng-Chun Chen
Chemical
Formula: 2(C13 H12 O2),3(C10 H8 N2)
Name: bis(4,4'-Methylenediphenol) tris(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.14
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUCVAU
Authors/Journal
Authors: Li-Li Wang, Hong Chang, En-Cui Yang
Chemical
Name: 2,2'-Dithiodibenzoic acid 1,3-bis(4-pyridyl)propane
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.46
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUDRUN
Authors/Journal
Authors: A.Boussadia, A.Beghidja, L.Gali, C.Beghidja, M.Elhabiri,
P.Rabu, G.Rogez
Chemical
Name: 4-hydroxy-3-{[(2-hydroxyphenyl)methylidene]azaniumyl}benzoate
2-{[(5-carboxy-2-hydroxyphenyl)iminio]methyl}phenolate
Synonym:
Source:
Melting Point:
Extra Information: tested for antioxidant activity
Experimental
R-Factor (%): 5.09
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUFFAI
Authors/Journal
Authors: R.Dubey, G.R.Desiraju
Chemical
Name: quercetin 4,4'-ethane-1,2-diyldipyridine
Synonym: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
4,4'-ethane-1,2-diyldipyridine
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.3
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUFQOH01
Authors/Journal
Authors: Yu-Nan Zhang, He-Mei Yin, Yu Zhang, Da-Jun Zhang, Xin Su, Hai-
Xue Kuang
Chemical
Formula: C15 H10 O7,1.5(C10 H8 N2)
Name: 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
sesquikis(4,4'-bipyridine)
Synonym: quercetin sesquikis(4,4'-bipyridine)
Source:
Melting Point:
Colour: yellow
Extra Information: antibacterial properties against S. aureus and E. coli
Experimental
R-Factor (%): 5.46
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUFXIJ
Authors/Journal
Authors: M.Hussain, Chuang Niu, Guan-Wu Wang
Journal: Org.Chem.Front. , 7, 1249, 2020
Chemical
Formula: C73 H6 O3,C1 S2
Name: (2-oxo-2H-naphtho[1,2-b]pyran-3-yl-4-oxy)C60fullerene carbon
disulfide
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.95
Temperature: 291
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUKPUS
Authors/Journal
Authors: Boosung Park, Woojin Yoon, Jungmin Yun, Eunmi Ban, Hoseop Yun,
A.Kim
Journal: Int.J.Pharm. , 557, 26, 2019
Chemical
Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione bis(pyridine-3-
carboxamide)
Synonym: emodin bis(nicotinamide)
Source:
Melting Point:
Colour: yellow
Extra Information: emodin has anti-inflammatory, antibacterial, antiviral, and
anti-cancer activities
Experimental
R-Factor (%): 4.04
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUKVEI
Authors/Journal
Authors: U.Garg, Y.Azim, A.Kar, C.P.Pradeep
Chemical
Name: 2-amino-4,6-dimethylpyrimidine bis(naphthylacetic acid)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.51
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUKVIM
Authors/Journal
Authors: U.Garg, Y.Azim, A.Kar, C.P.Pradeep
Chemical
Name: 2-aminopyrimidine naphthylacetic acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.2
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUMQOO
Authors/Journal
Authors: Shouwen Jin, Huan Zhang, Ying Zhao, Li Jin, Xianghang Ye, Hui
Liu, Daqi Wang
Chemical
Name: isophthalic acid 1,1'-butane-1,4-diylbis-1H-imidazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.74
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUPNUV
Authors/Journal
Authors: Y.Rosello, M.Benito, N.Bagues, N.Martinez, A.Moradell, I.Mata,
J.Galcera, M.Barcelo-Oliver, A.Frontera, E.Molins
Chemical
Name: 9-ethyladenine hemikis(succinic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUPPEH
Authors/Journal
Authors: Y.Rosello, M.Benito, N.Bagues, N.Martinez, A.Moradell, I.Mata,
J.Galcera, M.Barcelo-Oliver, A.Frontera, E.Molins
Chemical
Name: 9-ethyladenine hemikis(fumaric acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUWNEJ
Authors/Journal
Authors: R.D.Calleja, E.S.Martinez, S.Friederichs, J.Kudnig, J.Bracker,
G.Klar
Chemical
Name: 1,2-bis(Methylthio)benzene 2,3-dichloro-5,6-dicyano-1,4-
benzoquinone
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.46
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YUYDEE
Authors/Journal
Authors: P.Ouiyangkul, S.Saithong, V.Tantishaiyakul
Chemical
Name: bis(proline) 4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-
1,3-diol
Synonym: bis(proline) oxyresveratrol
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.69
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUYFON
Authors/Journal
Authors: Z.Bocskei, K.Simon, G.Ambrus, E.Ilkoy
Chemical
Name: Androsta-1,4-diene-3,17-dione 1-naphthol
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YUYFUT
Authors/Journal
Authors: Z.Bocskei, K.Simon, G.Ambrus, E.Ilkoy
Chemical
Name: Androsta-1,4-diene-3,17-dione 2-naphthol
Synonym: PDB Chemical Component code: ANB
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.56
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YUYNUB
Authors/Journal
Authors: K.-F.Tebbe, K.Nagel
Chemical
Name: 1,3,5,7-Tetra-azatricyclo(3.3.1.1$3,7!)decane tris(di-iodide)
Synonym: Urotropin-3-di-iode
Source:
Melting Point: 364K(dec.)
Colour: black red
Extra Information:
Experimental
R-Factor (%): 2.62
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: YUYQAM
Authors/Journal
Authors: R.Thipparaboina, D.Kumar, S.Mittapalli, S.Balasubramanian,
Ashwini Nangia, N.R.Shastri
Chemical
Name: 4-hydroxy-3-methoxybenzaldehyde 6-(2,3-dichlorophenyl)-1,2,4-
triazine-3,5-diamine
Synonym: lamotrigine vanillin
Source:
Colour: colorless
Extra Information: Lamotrigine is a drug for the treatment of epilepsy and
bipolar disorder
Experimental
R-Factor (%): 4.28
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YUZVEV
Authors/Journal
Authors: B.K.Saha, S.Bhattacharya
Chemical
Name: 4,4',4''-(1,3,5-Triazine-2,4,6-triyltris(oxy))triphenol 4,4'-
bipyridine
Synonym: 2,4,6-tris(4-Hydroxyphenoxy)-1,3,5-triazine 4,4'-bipyridine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.29
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZABRAV
Authors/Journal
Authors: Yu.A.Simonov, Ya.Lipkovskii, K.Slivinska, M.S.Fonar',
E.V.Ganin, T.I.Malinovskii
Chemical
Name: 18-Crown-6 4-nitrosoaniline
Synonym:
Source:
Colour: green
Extra Information:
Experimental
R-Factor (%): 6.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZABREZ
Authors/Journal
Authors: Yu.A.Simonov, Ya.Lipkovskii, K.Slivinska, M.S.Fonar',
E.V.Ganin, T.I.Malinovskii
Chemical
Name: Dicyclohexano-18-crown-6 bis(4-nitrosoaniline)
Synonym:
Source:
Colour: green
Extra Information:
Experimental
R-Factor (%): 7.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZABVUX
Authors/Journal
Authors: Jay Quentin, L.R.MacGillivray
Chemical
Name: 1,2,3,5-tetrafluoro-4,6-diiodobenzene 3,3'-(ethene-1,2-
diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.83
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZABWEI
Authors/Journal
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene 3,3'-(ethene-1,2-
diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.19
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZABWOS
Authors/Journal
Chemical
Formula: 1.5(C12 H10 N2),2(C6 H6 O2)
Name: bis(benzene-1,3-diol) sesquikis(3,3'-(ethene-1,2-
diyl)dipyridine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: Moisture-sensitive,Oxygen-sensitive,Light-sensitive
Experimental
R-Factor (%): 4.36
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZADVOS
Authors/Journal
Authors: O.Jeannin, F.Barriere, M.Fourmigue
Chemical
Formula: 2(C9 H5 F3 S6),C12 H4 N4
Name: 2,2'-cyclohexa-2,5-diene-1,4-diylidenedimalononitrile 2-(4-
(trifluoromethyl)-1,3-dithiol-2-ylidene)-5,6-dihydro[1,3]dithiolo[4,5-b]
[1,4]dithiine
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.39
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZAGKOH
Authors/Journal
Authors: S.C.Blackstock, K.Poehling, M.L.Greer
Chemical
Name: bis(2,3-Diaza-2-oxobicyclo(2.2.2)oct-2-ene) tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZAGKUN
Authors/Journal
Authors: S.C.Blackstock, K.Poehling, M.L.Greer
Chemical
Name: bis(2,3-Diaza-2,3-dioxobicyclo(2.2.2)oct-2-ene)
tetracyanoethylene
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZAJCOC
Authors/Journal
Authors: R.W.Hartmann, H.Bayer, G.Grun, T.Sergejew, U.Bartz, M.Mitrenga
Chemical
Name: (1aR,1R,7bR)-(-)-6-Methoxy-1-(4-pyridyl)-1a,2,3,7b-tetrahydro-
1H-cyclopropa(a)naphthalene (2R,3R)-(-)-dibenzoyl tartrate
Synonym:
Source:
Melting Point:
Colour:
Extra Information: almost inactive enantiomer of compound which exhibits
antitumour activity
Experimental
R-Factor (%): 12.75
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZAJDAP
Authors/Journal
Authors: P.Stjernlof, M.D.Ennis, L.O.Hansson, R.L.Hoffman, N.B.Ghazal,
S.Sundell, M.W.Smith, K.Svensson, A.Carlsson, H.Wikstrom
Chemical
Name: S-(-)-(4-Fluoro-6,7,8,9-tetrahydro-3H-benz(e)indol-8-
yl)dipropylamine di-p-toluoyl-D-tartrate
Synonym:
Source:
Colour:
Extra Information: evaluated for serotonergic activity
Experimental
R-Factor (%): 5.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x(C19) is -0.1156, not 0.1156
REFCODE: ZAJDIX
Authors/Journal
Authors: K.S.Feldman, R.F.Campbell
Chemical
Formula: C20 H14 O4,0.5(C4 H10 O2)
Name: (E)-8-(4-(2-Carboxyethenyl)phenyl)-1-naphthylene-carboxylic
acid dimethoxyethane
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.84
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZAJHOH
Authors/Journal
Authors: G.Smith, J.M.Gentner, D.E.Lynch, K.A.Byriel, C.H.L.Kennard
Chemical
Name: 2-Aminopyrimidine o-phthalic acid
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 3.57
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZAJJAV
Authors/Journal
Chemical
Name: 2-Aminopyrimidine bis(2-aminobenzoic acid)
Synonym:
Source:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 4.92
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZAJJEZ
Authors/Journal
Chemical
Name: 2-Aminopyrimidine 3-aminobenzoic acid
Synonym:
Source:
Colour: pale brown
Extra Information:
Experimental
R-Factor (%): 4.11
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZAKSIQ
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.47
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZAPNAF
Authors/Journal
Authors: D.M.Eichhorn, Syaulan Yang, W.Jarrell, T.F.Baumann, L.S.Beall,
A.J.P.White, D.J.Williams, A.G.M.Barrett, B.M.Hoffman
Chemical
Name: bis(octakis(Dimethylamino)porphyrazine)
Synonym:
Source:
Melting Point:
Colour: dark purple
Extra Information:
Experimental
R-Factor (%): 4.21
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZAQSOB
Authors/Journal
Authors: C.Kocabiyik, H.Pasaoglu, T.Basili, E.Agar
Chemical
Name: 2-Amino-4-nitrophenol 1-(2,4,6-trihydroxyphenyl)ethanone
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.62
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZAQYUO
Authors/Journal
Authors: N.E.A.Abd-elsatar, A.M.El-Naggar
Chemical
Name: N$2!-(4-methylphenyl)-N-1,3-thiazol-2-ylglycinamide
methoxymethane
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 6.58
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZARFUV
Authors/Journal
Authors: Peng Liu, Chuansheng Ruan, Tiesheng Li, Baoming Ji
Chemical
Formula: C6 F4 I2,C6 H4 O2
Name: Cyclohexa-2,5-diene-1,4-dione 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym: 1,4-Benzoquinone 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.25
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZARYOJ
Authors/Journal
Authors: R.Swinton Darious, P.Thomas Muthiah, F.Perdih
Chemical
Name: 4-hydroxybenzoic acid N-(7H-purin-6-yl)benzamide
Synonym: N$6!-benzoyladenine 4-hydroxybenzoic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.29
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZAVDOP
Authors/Journal
Authors: V.Munchow, R.Steudel, J.Buschmann, P.Luger
Chemical
Name: bis(Triphenylmethyl)-perthiocarbonate carbon disulfide
Synonym:
Source:
Extra Information:
Experimental
R-Factor (%): 5.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZAYQEV
Authors/Journal
Authors: B.Viossat, A.Tomas, N.-H.Dung, Y.Mettey, J.-M.Vierfond
Chemical
Name: 12-Imino-12H-benzimidazo(2,1-b)(1,3)benzothiazine 7,7,8,8-
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 4.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZEBDAO
Authors/Journal
Authors: U.P.Singh, K.Tomar, S.Kashyap, P.Verma
Chemical
Name: benzene-1,2,4,5-tetracarboxylic acid 5-methyl-3-phenyl-1H-
pyrazole
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.23
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEBJUN
Authors/Journal
Authors: H.D.Arman, E.R.Rafferty, C.A.Bayse, W.T.Pennington
Chemical
Formula: C18 H15 P1 Se1,C6 F4 I2
Name: Triphenylphosphine selenide 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.22
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEBLAV
Authors/Journal
Authors: Hai Yue Gao, Xiao Ran Zhao, Hui Wang, Xue Pang, Wei Jun Jin
Chemical
Name: 9H-Fluorene 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym: PDB Chemical Component code: 9FL
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.08
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEBQOM
Authors/Journal
Authors: F.Cristiani, F.A.Devillanova, F.Isaia, V.Lippolis, G.Verani,
F.Demartin
Chemical
Formula: C7 H5 I2 N1 O1 S1,I2
Name: 2-(3H)-(Di-iodothio)benzoxazole di-iodine
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZECMUP
Authors/Journal
Authors: K.Takimiya, Y.Shibata, K.Imamura, A.Kashihara, Y.Aso,
T.Otsubo, F.Ogura
Chemical
Name: 2,7,9,14,15,20,21,26-Octathia-
1(2,7,3,6),8(2,3,7,6)ditetrathiafulvalena-tricyclo(6.6.6.6)hexacosaphane carbon
disulfide
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZECMUP01
Authors/Journal
Authors: K.Takimiya, K.Imamura, Y.Shibata, Y.Aso, F.Ogura, T.Otsubo
Chemical
Name: 2,7,9,14,15,20,21,26-Octathia-1(2,7,6,3),6(2,7,6,3)
ditetrathiafulvalenatricyclo(6.6.6.6)hexacontaphane carbon disulfide
Synonym:
Source:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZEDJOH
Authors/Journal
Authors: D.Hashizume, H.Uekusa, Y.Ohashi, R.Matsugawa, H.Miyamoto,
F.Toda
Chemical
Formula: 2(C33 H32 O4),C12 H15 N1 O2
Name: bis((R,R)-(-)-trans-2,3-bis(Diphenylhydroxymethyl)-1,4-
dioxaspiro(4.4)nonane) N-isopropyl-N-methylphenylglyoxylamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZEDJUN
Authors/Journal
Authors: D.Hashizume, H.Uekusa, Y.Ohashi, R.Matsugawa, H.Miyamoto,
F.Toda
Chemical
Formula: 2(C34 H34 O4),C12 H15 N1 O2
Name: bis((R,R)-(-)-trans-2,3-bis(Diphenylhydroxymethyl)-1,4-
dioxaspiro(4.5)decane) N-isopropyl-N-methylphenylglyoxylamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZEFCEU01
Authors/Journal
Authors: Fangna Dai, Di Sun, Wenming Sun, Yun-Qi Liu, Daofeng Sun
Chemical
Formula: 2(C12 H15 N3 O9),3(C10 H8 N2)
Name: bis(3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-
triyl)tripropanoic acid) tris(4,4'-bipyridine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.37
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEFFEX08
Authors/Journal
Authors: A.O.F.Jones, M.-H.Lemee-Cailleau, D.M.S.Martins, G.J.McIntyre,
I.D.H.Oswald, C.R.Pulham, C.K.Spanswick, L.H.Thomas, C.C.Wilson
Chemical
Name: bis(N,N-Dimethylurea) ethanedioic acid
Synonym: bis(N,N-Dimethylurea) oxalic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.21
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEFTOV
Authors/Journal
Authors: Yang-Hui Luo, Chen-Guang Zhang, Bing Xu, Bai-Wang Sun
Chemical
Name: 2-Hydroxybenzoic acid hemikis(2,3-dimethylpyrazine)
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 7.7
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEFTOV01
Authors/Journal
Authors: Xinping Wang, Kai Zhang, Yanling Geng, Yuexin Sun, Fushan
Chen, Lei Wang
Chemical
Name: hemikis(2,3-dimethylpyrazine) salicylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.28
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEFVAJ
Authors/Journal
Authors: Yang-Hui Luo, Chen-Guang Zhang, Bing Xu, Bai-Wang Sun
Chemical
Name: 3-Hydroxybenzoic acid 2,3-dimethylpyrazine
Synonym:
Source:
Melting Point:
Colour: white
Extra Information:
Experimental
R-Factor (%): 6.07
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEHSEN
Authors/Journal
Authors: L.Gonzalez, R.M.Tejedor, Eva Royo, B.Gaspar, J.Munarriz,
A.Chanthapally, J.L.Serrano, J.J.Vittal, S.Uriel
Chemical
Name: 1,3,5,7-tetraazatricyclo[3.3.1.1$3,7!]decane 1,4-
bis(iodoethynyl)benzene
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.43
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEKPIR01
Authors/Journal
Ghosh
Chemical
Name: 1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 4-fluoro-3-
nitrobenzoic acid
Synonym: theophylline 4-fluoro-3-nitrobenzoic acid
Source:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 12.25
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEKYEW
Authors/Journal
Authors: A.Pandey, C.Verma, B.Singh, E.E.Ebenso
Chemical
Name: 2-chloro-4-nitrobenzoic acid benzamide
Synonym:
Source:
Colour: yellowish
Extra Information:
Experimental
R-Factor (%): 5.28
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEKYIA
Authors/Journal
Authors: A.Pandey, C.Verma, B.Singh, E.E.Ebenso
Chemical
Name: 2-aminobenzoic acid 2-chloro-4-nitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.54
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZELDAY
Authors/Journal
Authors: V.Siva, M.Raja, S.Athimoolam, S.Asath Bahadur
Chemical
Name: bis(4-methoxyaniline) benzene-1,4-diol
Synonym: bis(4-methoxyaniline) hydroquinone
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.75
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEPGAC
Authors/Journal
Authors: R.Jones, Zhaoqing Liu, R.Scheffer, J.Trotter
Chemical
Name: Ethyl hydrogen 9,10-dihydro-9,10-ethenoanthracene-11,12-
dicarboxylate triphenylphosphine oxide
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: no CIF deposited
REFCODE: ZEQCEG
Authors/Journal
Authors: V.Andre, O.Shemchuk, F.Grepioni, D.Braga, M.Teresa Duarte
Chemical
Name: 4-amino-2-hydroxybenzoic acid 1,3,7-trimethyl-3,7-dihydro-1H-
purine-2,6-dione
Synonym: 4-amino-2-hydroxybenzoic acid caffeine
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZESQEW
Authors/Journal
Authors: R.Montis, M.Arca, M.Carla Aragoni, A.J.Blake, C.Castellano,
F.Demartin, F.Isaia, Vito Lippolis, Anna Pintus, E.J.Lenardao, G.Perin,
A.E.O'Connor, S.Thurow
Chemical
Formula: Cl1 I1,C11 H8 F1 N1 Se1
Name: 2-[(4-fluorophenyl)selanyl]pyridine iodochloride
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 2.92
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZESQOG
Authors/Journal
Chemical
Formula: C11 H8 Cl1 N1 Se1,I2
Name: 2-[(4-fluorophenyl)selanyl]pyridine iodochloride di-iodine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 3.45
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZESQUM
Authors/Journal
Chemical
Formula: 2(C17 H13 N1 Se2),I2
Name: bis(2,6-bis(phenylselanyl)pyridine) di-iodine
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 3.71
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZESQUM01
Authors/Journal
Chemical
Formula: C17 H13 N1 Se2,0.5(I2)
Name: 2,6-bis(phenylselanyl)pyridine hemikis(di-iodine)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZESRUN
Authors/Journal
Chemical
Formula: Cl1 I1,C11 H8 Cl1 N1 Se1
Name: 2-[(4-chlorophenyl)selanyl]pyridine iodochloride
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.61
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZESSAU
Authors/Journal
Chemical
Formula: C11 H8 Cl1 N1 Se1,Br1 I1
Name: 2-[(4-chlorophenyl)selanyl]pyridine iodobromide
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 3.27
Temperature: 294
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEVSIC
Authors/Journal
Authors: J.S.Ward, L.Merritt, D.O.Calligaro, F.P.Bymaster, H.E.Shannon,
B.D.Sawyer, C.H.Mitch, J.B.Deeter, S.C.Peters, M.J.Sheardown, P.H.Olesen,
M.D.B.Swedberg, P.Sauerberg
Chemical
Name: (S)-3-(3-(Methylsulfonyl)-1,4-diazin-2-yl)-1-
azabicyclo(2.2.2)octane (2S,3S)-tartrate
Synonym:
Source:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZEXHES
Authors/Journal
Authors: H.Sugiyama, H.Uekusa
Chemical
Formula: C12 H9 Br1 N2 O1,C7 H5 Cl1 O2
Name: (E)-4-bromo-2-(((pyridin-3-yl)imino)methyl)phenol 4-
chlorobenzoic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.52
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEXHIW
Authors/Journal
Chemical
Formula: 3(C12 H9 Br1 N2 O1),2(C7 H6 O4)
Name: tris((E)-4-bromo-2-(((pyridin-3-yl)imino)methyl)phenol)
bis(3,5-dihydroxybenzoic acid)
Synonym:
Source:
Melting Point:
Colour: yellow
Experimental
R-Factor (%): 4.64
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEXHOC
Authors/Journal
Chemical
Formula: C12 H9 Cl1 N2 O1,C7 H5 Cl1 O2
Name: (E)-4-chloro-2-(((pyridin-3-yl)imino)methyl)phenol 4-
chlorobenzoic acid
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.56
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEXHUI
Authors/Journal
Chemical
Name: (E)-2,4-dibromo-6-(((pyridin-3-yl)imino)methyl)phenol 3,5-
dinitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour: orange
Experimental
R-Factor (%): 4.73
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEXJOE
Authors/Journal
Chemical
Formula: C12 H9 Br1 N2 O1,C7 H6 O4
Name: (E)-4-bromo-2-(((pyridin-3-yl)imino)methyl)phenol 3,4-
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 6.44
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEXMOH
Authors/Journal
Chemical
Formula: C12 H9 Br1 N2 O1,C7 H4 Cl2 O2
Name: 3,5-dichlorobenzoic acid (E)-4-bromo-2-{[(pyridin-3-
yl)imino]methyl}phenol
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 9.82
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEXTIF
Authors/Journal
Authors: S.Zaitu, Y.Miwa, T.Taga
Chemical
Name: 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione p-nitroaniline
Synonym: Theophylline p-nitroaniline
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZEXVUV
Authors/Journal
Authors: S.Gangavaram, S.Raghavender, P.Sanphui, S.Pal, S.G.Manjunatha,
S.Nambiar, Ashwini Nangia
Chemical
Name: 1-Ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-
carboxylic acid benzene-1,3-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.22
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEXWEG
Authors/Journal
Chemical
Formula: C12 H12 N2 O3,0.5(C6 H6 O2)
carboxylic acid hemikis(benzene-1,4-diol)
Synonym: Nalidixic acid hemikis(benzene-1,4-diol)
Source:
Melting Point:
Colour: colorless
Extra Information: Nalidixic acid exhibits antibacterial activity
Experimental
R-Factor (%): 6.37
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEXWIK
Authors/Journal
Chemical
carboxylic acid benzene-1,2-diol
Synonym: Nalidixic acid benzene-1,2-diol
Source:
Melting Point:
Colour: colorless
Extra Information: Nalidixic acid exhibits antibacterial activity
Experimental
R-Factor (%): 5.03
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEYNAV
Authors/Journal
Chen, Lei Wang
Chemical
Name: 2,3-dimethylpyrazine 3-nitrophthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.33
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEYNEZ
Authors/Journal
Chen, Lei Wang
Chemical
Name: 2,3-dimethylpyrazine 5-chloro-2-hydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEYNID
Authors/Journal
Chen, Lei Wang
Chemical
Name: 2,3-dimethylpyrazine 2,3-dihydroxybenzoic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.88
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZEYNUP
Authors/Journal
Chen, Lei Wang
Chemical
Name: 2,3-dimethylpyrazine 4,5-dichlorophthalic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.63
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZIBZUH
Authors/Journal
Authors: F.C.Oliveira, A.M.L.Denadai, L.D.L Guerra, F.H.Fulgencio,
D.Windmoller, G.C.Santos, N.G.Fernandes, M.I.Yoshida, C.L.Donnici, W.F.Magalhaes,
J.C.Machado
Chemical
Name: N-Phenylacetamide triphenylphosphine oxide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.98
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZICZIU
Authors/Journal
Authors: J.Tanabe, T.Kudo, M.Okamoto, Y.Kawada, G.Ono, A.Izuoka,
T.Sugawara
Chemical
Name: 2,6,8,12,13,17,18,22-Octathia-
1(2,7,3,6),7(2,3,7,6)ditetrathiafulvalenatricyclo(5.5.5.5)docosaphane
Synonym:
Source:
Melting Point: above 240 deg.C (dec)
Colour: black
Extra Information:
Experimental
R-Factor (%): 6.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x(C35) is 0.6028 not 0.6082. z(C56) is 0.0062 not 0.0082
REFCODE: ZIFWOA
Authors/Journal
Authors: F.Toda, K.Tanaka, M.Watanabe, T.Abe, N.Harada
Chemical
Name: (2R,3R)-(-)-2,3-O-Isopropylidene-1,1,4,4-tetrakis(2-
methylphenyl)-1,2,3,4-butanetetrol (-)-verbenone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.53
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZIHHAZ
Authors/Journal
Authors: P.P.Korkas, E.Weber, M.Czugler, G.Naray-Szabo
Chemical
Name: (Anthracene-9,10-diethynyl)(2alpha,2alpha'-bis(2beta-
hydroxybornane)) (S)-(+)-phenyloxirane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.82
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZIHXAS
Authors/Journal
Authors: G.Campillo-Alvarado, A.D.Brannan, D.C.Swenson,
L.R.MacGillivray
Chemical
Name: (4-acetylphenyl)boronic acid 4,4'-(ethene-1,2-diyl)dipyridine
Synonym: 1,2-bis(4-pyridyl)ethylene 4-acetylphenylboronic acid
Source:
Melting Point:
Colour: colorless
Extra Information: Crystals were obtained from slow evaporation of 4-Ac-ba (20.0
mg, 0.1220 mmol) and bpe (22.23 mg, 0.1220 mmol)
Experimental
R-Factor (%): 6.74
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZIJHAD
Authors/Journal
Authors: K.S.Eccles, R.E.Morrison, C.A.Daly, G.E.O'Mahony, A.R.Maguire,
S.E.Lawrence
Chemical
Name: tetrakis(4-Methylbenzenesulfinamide) 1,2,4,5-tetrafluoro-3,6-
diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.28
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZIJQOY
Authors/Journal
Authors: R.Luboradski, Ya.Lipkovski, E.V.Ganin, A.A.Yavolovski,
M.S.Fonar, Yu.A.Simonov
Chemical
Name: (18-Crown-6) bis(1,2,4-1H-triazole)
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.27
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZIJQOY01
Authors/Journal
Sun
Chemical
Name: 18-crown-6 bis(1H-1,2,4-triazole)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZIJQOY02
Authors/Journal
Sun
Chemical
Name: 18-crown-6 bis(1H-1,2,4-triazole)
Synonym:
Source:
Melting Point:
Colour:
Extra Information: Crystallised in 0.5 T magnestic field
Experimental
R-Factor (%): 13.62
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZIKFOR
Authors/Journal
Authors: N.Couvrat, M.Sanselme, Y.Cartigny, F.De Smet, S.Rome, L.Aerts,
L.Quere, J.Wouters, G.Coquerel
Chemical
Formula: C11 H20 N2 O2,x(C20 H40 O3)
Name: (2S)-2-[(4R)-2-oxo-4-propyl-pyrrolidin-1-yl] butanamide PEG-
100
Synonym: brivaracetam PEG-100
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.87
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: The stoichiometric relationship between the 2 residues is
unclear. The publication describes PEG 100 stearate as a guest molecule and the
molecular weight of both residues as 224.31 g/mol
REFCODE: ZIKNOY
Authors/Journal
Chemical
Name: Isonicotinamide 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-
chromen-4-one
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.86
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZIKPUG
Authors/Journal
Chemical
Name: Isonicotinamide 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-
chromen-4-one
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.89
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZILCOO
Authors/Journal
Authors: S.G.Tolshchina, R.I.Ishmetova, N.K.Ignatenko, A.V.Korotina,
P.A.Slepukhin, G.L.Rusinov, V.N.Charushin
2013
Chemical
Name: (6-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,4-dihydro-1,2,4,5-
tetrazin-3(2H)-ylidene)malononitrile 6-acetyl-7-amino-3-(3,5-dimethyl-1H-pyrazol-1-
yl)pyrrolo[1,2-b][1,2,4,5]tetrazine-8-carbonitrile
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 5.33
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZILLUB
Authors/Journal
Authors: H.Nagata, Y.In, M.Doi, T.Ishida, T.Ishida, A.Wakahara
Chemical
Name: Indole-3-acetamide picric acid
Synonym: PDB Chemical Component code: TSR
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 6.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZILMAI
Authors/Journal
Authors: H.Nagata, Y.In, M.Doi, T.Ishida, T.Ishida, A.Wakahara
Chemical
Name: Indole-3-acetonitrile picric acid
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 7.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZILMEM01
Authors/Journal
Authors: M.Soriano-Garcia, A.Toscano
Chemical
Name: (3-Indolyl)acetic acid 2,4,6-trinitrophenol
Synonym: (3-Indolyl)acetic acid picric acid
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 7.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZILMUF
Authors/Journal
Authors: Yu Liu, Shichun Li, Jinjiang Xu, Hongli Zhang, Yuxiang Guan,
Huaiyu Jiang, Shiliang Huang, Hui Huang, Zeshan Wang
Chemical
Name: 1,1'-(ethene-1,2-diyl)bis(2,4,6-trinitrobenzene) 4,4'-(ethene-
1,2-diyl)dipyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.69
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZIMHIO
Authors/Journal
Authors: N.Rajesh Goud, Ashwini Nangia
Chemical
Name: N-((4-Aminophenyl)sulfonyl)acetamide acetamide
Synonym: Sulfacetamide acetamide
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.11
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZIMHIO01
Authors/Journal
Authors: N.Rajesh Goud, Ashwini Nangia
Chemical
Name: N-((4-Aminophenyl)sulfonyl)acetamide acetamide
Synonym: Sulfacetamide acetamide
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.62
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZINPIY
Authors/Journal
Authors: Duanxiu Li, Minmin Kong, Jiong Li, Zongwu Deng, Hailu Zhang
Chemical
Name: pyrrolidin-1-ium-2-carboxylate 4-amino-5-fluoropyrimidin-
2(1H)-one
Synonym: flucytosine proline
Source:
Melting Point:
Colour: colorless
Extra Information: absolute configuration; Flucytosine is an antifungal drug
Experimental
R-Factor (%): 4.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZINZUR
Authors/Journal
Authors: J.J.Kane, Ruey-Fen Liao, J.W.Lauher, F.W.Fowler
Chemical
Name: Ureylene dicarboxylic acid 4,4'-bipyridyl
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZIPBAB
Authors/Journal
Chemical
Name: Ureylene dicarboxylic acid 1,2-bis(4-pyridyl)ethane
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.2
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZIPBEF
Authors/Journal
Chemical
Name: Ureylene dicarboxylic acid 1,6-bis(4-pyridylcarboxylato)hexa-
2,4-diyne
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.9
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZIPBIJ
Authors/Journal
Chemical
Name: 1,5-bis(4'-Pyridyl)ureylene deca-4,6-diyne-1,10-dicarboxylic
acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.6
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZIRPOI
Authors/Journal
Authors: R.Sato, T.Kawamoto, T.Mori
Chemical
diylidene)dipropanedinitrile 1$2!,2$2!:2$5!,3$2!:3$5!,4$2!-quaterthiophene
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 9.2
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZIVREB
Authors/Journal
Authors: J.-N.Ross, J.L.Wardell, J.N.Low, G.Ferguson
Chemical
Name: N,N'-bis(trans-2-Phenyl-5-hydroxymethyl-1,3-dioxan-5-
yl)ethanediamide N,N'-bis(cis-2-phenyl-5-hydroxymethyl-1,3-dioxan-5-
yl)ethanediamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [ZIVRIF]
Experimental
R-Factor (%): 4.23
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZIZRUX01
Authors/Journal
Chemical
Name: 3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione 2-aminobenzoic
acid
Synonym: theobromine anthranilic acid
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOBBEZ
Authors/Journal
Authors: J.Lieffrig, O.Jeannin, A.Vacher, D.Lorcy, P.Auban-Senzier,
M.Fourmigue
141, 2014
Chemical
Formula: 2(C8 H4 I2 S6),C12 F4 N4
diylidene)dimalononitrile bis(2-(4,5-diiodo-1,3-dithiol-2-ylidene)-5,6-
dihydro[1,3]dithiolo[4,5-b][1,4]dithiine)
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 3.54
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZODWEU
Authors/Journal
Authors: K.Willis, D.J.Price, H.Adams, G.Ungar, D.W.Bruce
Chemical
Name: 4-(Octyloxy)stilbazole 4-cyanophenol
Synonym: PDB Chemical Component code: H8N
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 4.62
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZODWIY
Authors/Journal
Chemical
Name: Urea glutaric acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZOGCOP
Authors/Journal
Authors: M.Drozd, D.Dudzic, A.Pietraszko
Chemical
Name: guanidine acrylic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.17
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOGTIB
Authors/Journal
Authors: Y.V.Torubaev, D.K.Rai, I.V.Skabitsky, S.Pakhira, A.Dmitrienko
Chemical
Formula: 2(C12 H10 Te2),C6 F4 I2
Name: bis(diphenylditellane) 1,2,4,5-tetrafluoro-3,6-di-iodobenzene
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 1.95
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOKYON
Authors/Journal
Authors: M.K.Chantooni Junior, D.Britton
Chemical
Name: Triethyleneglycol dimethyl ether bis(dichloropicric acid)
Synonym: Triglyme bis(dichloropicric acid)
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZOMDAJ
Authors/Journal
Authors: K.Singaravelan, A.Chandramohan, S.Madhankumar, M.V.Enoch,
G.Vinitha
Chemical
Name: 3-nitrobenzene-1,2-dicarboxylic acid pyrimidin-2-amine
Synonym: 3-nitropthalic acid 2-aminopyrimidinine
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.36
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOPGOC
Authors/Journal
Authors: Chen Pengyuan
Chemical
Name: 1,3,5-Trinitrobenzene bis(1-nitronaphthalene)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 6.31
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOTGUN
Authors/Journal
Authors: G.M.Mercier, K.Robeyns, N.Tumanov, B.Champagne, J.Wouters,
T.Leyssens
Chemical
Formula: C14 H11 N1 O3,0.5(C6 F4 I2)
Name: 4-{[(2-hydroxyphenyl)methylidene]amino}benzoic acid
hemikis(1,2,4,5-tetrafluoro-3,6-bis(iodo)benzene)
Synonym:
Source:
Melting Point:
Colour: yellow
Experimental
R-Factor (%): 4.04
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOTHOI
Authors/Journal
T.Leyssens
Chemical
Formula: C17 H13 N1 O1,0.5(C7 H6 O4)
Name: 1-[(phenyliminio)methyl]naphthalen-2-olate hemikis(2,3-
dihydroxybenzoic acid)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOTJIE
Authors/Journal
T.Leyssens
Chemical
Name: 1-[(phenyliminio)methyl]naphthalen-2-olate 2-methylbut-2-
enedioic acid
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.81
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOTKEB
Authors/Journal
T.Leyssens
Chemical
Name: 4-{[(2-hydroxyphenyl)methylidene]amino}benzoic acid pyridine-
3-carboxamide
Synonym:
Source:
Melting Point:
Colour: yellow
Experimental
R-Factor (%): 9.19
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOTKOL
Authors/Journal
T.Leyssens
Chemical
Formula: C17 H13 N1 O1,0.5(C7 H6 O4)
Name: 1-[(phenyliminio)methyl]naphthalen-2-olate hemikis(3,5-
dihydroxybenzoic acid)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 7.77
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOTKUR
Authors/Journal
T.Leyssens
Chemical
Name: 2-methoxy-6-[(phenylimino)methyl]phenol urea
Synonym:
Source:
Melting Point:
Colour: yellow
Experimental
R-Factor (%): 4.61
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOTLAY
Authors/Journal
T.Leyssens
Chemical
Formula: 3(C17 H12 F1 N1 O1),2(C7 H6 O4)
Name: tris(1-{[(4-fluorophenyl)iminio]methyl}naphthalen-2-olate)
bis(3,5-dihydroxybenzoic acid)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.47
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOTLIG
Authors/Journal
T.Leyssens
Chemical
Name: 4-{[(2-hydroxy-3-methoxyphenyl)methylidene]amino}benzoic acid
4-nitrobenzamide
Synonym:
Source:
Melting Point:
Colour: pale yellow
Extra Information:
Experimental
R-Factor (%): 6.53
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOTLOM
Authors/Journal
T.Leyssens
Chemical
Formula: C17 H12 F1 N1 O1,0.5(C4 H4 O4)
Name: 1-{[(4-fluorophenyl)iminio]methyl}naphthalen-2-olate
hemikis(fumaric acid)
Synonym:
Source:
Melting Point:
Colour: orange
Extra Information:
Experimental
R-Factor (%): 4.39
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZOXSEK
Authors/Journal
Authors: D.Kozma, Z.Bocskei, C.Kassai, K.Simon, E.Fogassy
Chemical
Name: (-)-(1R,2S,5R)-Menthol O,O'-dibenzoyl-(2R,3R)-tartaric acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.0
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: y(O6) is 0.5781 not 0.781
REFCODE: ZPHCYQ
Authors/Journal
Authors: B.Shaanan, U.Shmueli, M.Colapietro
Chemical
Formula: 2(C12 H8 N2),C8 Cl2 N2 O2
Name: bis(9,10-Diazaphenanthrene) 2,3-dichloro-5,6-dicyano-1,4-
benzoquinone complex
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZPHCYQ10
Authors/Journal
Authors: B.Shaanan, U.Shmueli, M.Colapietro
818, 1982
Chemical
Formula: 2(C12 H8 N2),C8 Cl2 N2 O2
Name: bis(9,10-Diazaphenanthrene) 2,3-dichloro-5,6-dicyano-1,4-
benzoquinone
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 4.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZUGRUO
Authors/Journal
Authors: P.W.R.Corfield, S.J.La Placa
Chemical
Name: 2,2',5,5'-Tetraselenafulvalene 7,7,8,8-tetracyano-p-
quinodimethane
Synonym:
Source:
Melting Point:
Colour: black
Extra Information:
Experimental
R-Factor (%): 1.76
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZUHZEK
Authors/Journal
Authors: A.I.Kobelev, N.A.Tretyakov, E.E.Stepanova, M.V.Dmitriev,
M.Rubin, A.N.Maslivets
Chemical
Formula: C27 H28 Cl1 N3 O5 S1,C16 H10 Cl1 N1 O3
Name: 6-chloro-3-(2-oxo-2-phenylethylidene)-3,4-dihydro-2H-1,4-
benzoxazin-2-one 9-benzoyl-1,3-dibutyl-6-(5-chloro-2-hydroxyphenyl)-8-hydroxy-2-
sulfanylidene-1,3,6-triazaspiro[4.4]non-8-ene-4,7-dione
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 6.79
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZULJUO
Authors/Journal
Authors: Juan Chen, Zhe Liu, Haijun Yan
Chemical
Name: N'-[(2-chloro-6-hydroxyphenyl)methylidene]-4-
hydroxybenzohydrazide oxolan-2-one
Synonym: (E)-N'-(2-chloro-6-hydroxybenzylidene)-4-
hydroxybenzohydrazide dihydrofuran-2(3H)-one
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 9.12
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZUPGUP
Authors/Journal
Authors: Deshuang Tu, Hong Yan, J.Poater, M.Sola
Chemical
Formula: 3(C21 H28 B9 P1),C21 H28 B9 P1
Name: tris(7-((triphenylphosphanium)methyl)-7,8-dicarba-9,10-muH-
nido-undecaborate(12)) 8-((triphenylphosphanium)methyl)-7,8-dicarba-9,10-muH-nido-
undecaborate(12)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.68
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZUPHEA
Authors/Journal
Authors: Lingfan Zhang, Man-Hua Ding
Chemical
Name: 1,2,4,5-tetrafluoro-3,6-diiodobenzene bis(4,4'-[anthracene-
1,8-diylbis(ethyne-2,1-diyl)]dipyridine)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 2.51
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZUPKUQ
Authors/Journal
Authors: V.R.Pedireddi, W.Jones, A.P.Chorlton, R.Docherty
Chemical
Name: Phenazine 3,5-dinitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.73
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZUPKUQ01
Authors/Journal
Authors: S.Grabowski, R.G.Delaplane, I.Olovsson
Chemical
Name: Phenazine 3,5-dinitrobenzoic acid
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 4.3
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZUPLAX
Authors/Journal
Chemical
Name: Phenazine bis(4-methyl-3,5-dinitrobenzoic acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.44
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZUPLEB
Authors/Journal
Chemical
Name: Phenazine bis(malonic acid)
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 3.81
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZUTBUL
Authors/Journal
Authors: S.Kohmoto, N.Iwasaki, D.Fukui, T.Nishio, I.Iida, K.Kishikawa,
M.Yamamoto, K.Yamada
Chemical
Name: 2,6-bis(N-((S)-1-Phenylethyl)-N-((S)-1-
phenylethylcarbamoyl))naphthalene ethyl acetate
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZUTLUV
Authors/Journal
Authors: M.Kido, D.Nomi, K.Hashimoto
Chemical
Name: R(+)-5,6-Difluoro-2-methyl-1,2,3,4-tetrahydroquinoline (+)-
dibenzoyl-D-tartrate
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.1
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZUWKUX
Authors/Journal
Authors: M.R.Caira, L.R.Nassimbeni, J.L.Scott, A.F.Wildervanck
Chemical
Name: bis((R)-4-(4-Chlorophenyl)pyrrol-2-one) (2R,3R)-(+)-tartaric
acid
Synonym:
Source:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.5
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZZZAGS10
Authors/Journal
Authors: F.H.Herbstein, M.Kapon, G.M.Reisner
Chemical
Name: 9,10-Dihydroanthracene bis(1,3,5-trinitrobenzene)
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information: Air-sensitive
Experimental
R-Factor (%): 8.7
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes: x(C4) reported as 0.5673 should read 0.5637
REFCODE: ZZZAKD10
Authors/Journal
Authors: J.Rambaud, B.Jeanjean, B.Pauvert, S.Alberola
Journal: Bull.Soc.Chim.Fr. , , 620, 1986
Chemical
Name: 2,3-Dimethyl-1-phenyl-pyrazol-5-one sulfaguanidine
Synonym: Antipyrine sulfaguanidine
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 5.4
Temperature: 295
Intensity Meas: 3
Disorder:
Extra Information:
CCDC Notes:
REFCODE: ZZZVLG
Authors/Journal
Authors: D.E.Palin, H.M.Powell
Chemical
Formula: 3(C6 H6 O2),H2 S1
Name: Hydroquinone hydrogen sulfide
Synonym:
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 0.0
Temperature: 295
Intensity Meas: 0
Disorder:
Extra Information:
CCDC Notes: See Crystal Data, Volume1 (3rd Ed) H0.331. Unit cell data
correspond to Crystal Data cell
REFCODE: BAXWAC
Authors/Journal
Authors: A.Garau, M.Carla Aragoni, M.Arca, C.Caltagirone, F.Demartin,
F.Isaia, Vito Lippolis, T.Pivetta
Chemical
Formula: C5 H8 I4 N2 S1,0.5(I2)
Name: (1,3-dimethyl-1,3-dihydro-2H-imidazole-2-thione)-bis(diiodine)
hemikis(diiodine)
Synonym:
Source:
Melting Point:
Colour: dark brown
Extra Information:
Experimental
R-Factor (%): 2.84
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: Structure dimerises through interactions between iodine atoms
(I4 / I5)
REFCODE: BAYQIF
Authors/Journal
Authors: Sha Li, KaiKai Hu, Xingjun Gao, Shouwen Jin, Bin Chen, Zhuoran
Chen, Li He, Daqi Wang
Chemical
Name: 3,4-dimethoxybenzoic acid 4-methyl-1,3-benzothiazol-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.88
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: CAZCAL
Authors/Journal
Chemical
Name: 4,3':5',4''-terpyridine 1,3-bis(iodo)-2,4,5,6-
tetrafluorobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.16
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DASYAB
Authors/Journal
Authors: M.Shahbaz, U.A.Khan, M.I.Chaudhary, S.Yousuf
Chemical
Name: 2-oxo-2H-1-benzopyran-3-carboxylic acid thiourea
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.73
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: DAXNAV
Authors/Journal
Authors: Yuanyuan Wang, Liping Wang, Feng Zhang, Na Wang, Yuting Gao,
Yuntian Xiao, Zhi Wang, Ying Bao
Chemical
Name: oxalic acid bis(5-chloro-3-[4-(methanesulfonyl)phenyl]-6'-
methyl-2,3'-bipyridine)
Synonym: bis(etoricoxib) oxalic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.57
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FATQEA
Authors/Journal
Authors: I.Litvinov
Chemical
Name: 4,4'-(propane-2,2-diyl)diphenol 3H,4H-6a,3a-
(azenoethanylylidene)pyrrolo[2,3-b]pyrrole
Synonym:
Source:
Melting Point:
Colour: colorles
Extra Information:
Experimental
R-Factor (%): 9.88
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: FEKHIQ
Authors/Journal
Authors: C.F.Leong, Bun Chan, Tianfu Liu, H.S.Moore, Idan Hod,
M.B.Solomon, P.M.Usov, J.T.Hupp, O.Farha, D.M.DAlessandro
Journal: New J.Chem. , , , 2022
Chemical
1,3,6,8(2H,7H)-tetrone [1,4]dithiino[2,3-b][1,4]dithiine
Synonym:
Source:
Melting Point:
Colour: dark red
Extra Information:
Experimental
R-Factor (%): 2.92
Temperature: 299
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GADGUN18
Authors/Journal
Chemical
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 13.89
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEDDAY
Authors/Journal
Authors: Jiulong Li, Chang Li, Xu Ji, Qin Sun, Zhi Li, He Liu, Lina
Zhou, Dingding Jing, Junbo Gong, Wei Chen
Chemical
Name: (2,4-dichlorophenoxy)acetic acid 2-ethoxybenzamide
Synonym: 2-Ethoxybenzamide 2,4-Dichlorophenoxyacetic acid
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.41
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEDDUS
Authors/Journal
Authors: M.Rodriguez-Molina, D.Galicia-Badillo, E.Cetina-Mancilla,
J.Cardenas, L.I.Olvera, R.A.Toscano, B.Rodriguez-Molina, M.G.Zolotukhin
Chemical
Formula: C20 H12 F4 O3,0.5(C6 H6 O2)
Name: hemikis(benzene-1,4-diol) 9-(4-fluorophenyl)-9-
(trifluoromethyl)-9H-xanthene-2,7-diol
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.31
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: GEHXEA
Authors/Journal
Authors: Yujiu Wu, Jingxian Zhou, Shouwen Jin, Hui Liu, Chengzhe Shi,
Daqi Wang
Chemical
Name: 6-methylpyridine-3-carboxamide nonanedioic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.95
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAYLAY
Authors/Journal
Authors: A.A.Ganie, S.Rashid, A.A.Ahangar, T.M.Ismail, P.K.Sajith,
A.A.Dar
Chemical
Name: 2,4-dihydroxybenzaldehyde 4,4'-bipyridine
Synonym:
Source:
Melting Point:
Colour: brown
Extra Information:
Experimental
R-Factor (%): 5.17
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: HAYLOM
Authors/Journal
Authors: A.A.Ganie, S.Rashid, A.A.Ahangar, T.M.Ismail, P.K.Sajith,
A.A.Dar
Chemical
Name: 4-{[(4-iodophenyl)imino]methyl}benzene-1,2,3-triol 4,4'-
bipyridine
Synonym:
Source:
Melting Point:
Colour: red
Extra Information:
Experimental
R-Factor (%): 9.43
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: JECNAK
Authors/Journal
Authors: Panpan Peng, Ning Ding, Chaofeng Zhao, Yaqiong Li, Jingjing
Liu, Shenghua Li, Siping Pang
Chemical
Name: 3,4,5-trinitro-1H-pyrazole triimidazo[1,2-a:1',2'-c:1'',2''-e]
[1,3,5]triazine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KAXMOP
Authors/Journal
Authors: L.A.E.Refat, C.OMalley, J.M.Simmie, P.McArdle, A.Erxleben
Chemical
Name: 5-[3,4,5-trimethoxybenzyl]pyrimidine-2,4-diamine nonanedioic
acid
Synonym: trimethoprim azelaic acid
Source:
Melting Point:
Colour: colorless
Extra Information: trimethoprim is an antibiotic
Experimental
R-Factor (%): 5.91
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEBCON
Authors/Journal
Authors: Mulveer Singh, S.Anthal, P.J.Srijana, B.Narayana,
B.K.Sarojini, U.Likhitha, Kamal, R.Kant
Chemical
Name: 3-aminobenzoic acid 1-(pyridin-4-yl)ethan-1-one
Synonym:
Source:
Melting Point:
Colour: grey
Extra Information:
Experimental
R-Factor (%): 4.13
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEBTEU
Authors/Journal
Authors: Qian Zhou, Yuan Yu, Huitian Du, Chenghao Liu, Junfeng Ren,
Shenghao Han, Zhiyong Pang
Journal: J.Lumin. , 247, 118903, 2022
Chemical
Name: benzene-1,2,4,5-tetracarbonitrile 1$2!,2$2!:2$6!,3$2!-
terpyridine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 5.71
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEFXEC
Authors/Journal
Authors: A.Segalina, B.Pavan, V.Ferretti, F.Spizzo, G.Botti, Anna
Bianchi, M.Pastore, A.Dalpiaz
Chemical
Name: 4-methylpyridin-2(1H)-one 1-{[(5-nitrofuran-2-
yl)methylidene]amino}imidazolidine-2,4-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.01
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: KEFXUS
Authors/Journal
Authors: A.Segalina, B.Pavan, V.Ferretti, F.Spizzo, G.Botti, Anna
Bianchi, M.Pastore, A.Dalpiaz
Chemical
Name: 1-{[(5-nitrofuran-2-yl)methylidene]amino}imidazolidine-2,4-
dione pyrimidin-2-amine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.36
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAYGOL03
Authors/Journal
Authors: M.J.M.Zapata, W.X.C.Oliveira, C.B.Pinheiro
Journal: Acta Crystallogr.,Sect.C:Cryst.Struct.Chem. , 78, , 2022
Chemical
Name: 1,3,5,7-tetra-azatricyclo[3.3.1.1$3,7!]decane tridecanedioic
acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.23
Temperature: 290
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAYGOL04
Authors/Journal
Authors: M.J.M.Zapata, W.X.C.Oliveira, C.B.Pinheiro
Journal: Acta Crystallogr.,Sect.C:Cryst.Struct.Chem. , 78, , 2022
Chemical
Name: 1,3,5,7-tetra-azatricyclo[3.3.1.1$3,7!]decane tridecanedioic
acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.98
Temperature: 303
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LAYLIK
Authors/Journal
Authors: Shanshan Sun, Junhong Pang, Shaofei Ni, Guohui Zhang, Liang
Xu, Li Dang, Ming-De Li
Chemical
Name: 1H,3H-benzo[1,2-c:4,5-c']difuran-1,3,5,7-tetrone 1,3,5-
trimethoxybenzene
Synonym:
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 5.86
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEBVIB
Authors/Journal
Authors: Peiqi Wang, Jingxian Zhou, Shouwen Jin, Lijun Zhang, Yujiu Wu,
Yifan Lu, Daqi Wang
Chemical
Name: 6-methylpyridine-3-carboxamide [1,1'-biphenyl]-2,2'-
dicarboxylic acid
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.23
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: LEBVOH
Authors/Journal
Authors: Peiqi Wang, Jingxian Zhou, Shouwen Jin, Lijun Zhang, Yujiu Wu,
Yifan Lu, Daqi Wang
Chemical
Name: 6-methylpyridine-3-carboxamide hemikis(hexanedioic acid)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.34
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NAYBUO
Authors/Journal
Authors: C.E.Anson, J.C.Briggs, A.H.Haines, M.Molinier
Journal: Carbohydr.Res. , 516, 108564, 2022
Chemical
Name: [6-(2,4-dinitroanilino)-2,2-dimethyltetrahydro-2H-furo[3,4-d]
[1,3]dioxol-4-yl]methanol 6-(hydroxymethyl)-2,2-dimethyltetrahydro-2H-furo[3,4-d]
[1,3]dioxol-4-ol
Synonym: 2,3-O-isopropylidene-N-(2,4-dinitrophenyl)-alpha-D-
ribofuranosylamine 2,3-O-isopropylidene-beta-D-ribofuranose
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 3.22
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: NECTIC
Authors/Journal
Authors: Shimeng Li, Zuowei Xie
Chemical
Formula: C6 H15 B14 F3,2(C8 H13 B10 F3)
Name: bis(9-(2,4,6-trifluorophenyl)-o-carborane) 1-(2,4,6-
trifluorophenyl)-closo-tetradecaborane(13)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 8.65
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PAYXUM
Authors/Journal
Authors: Jinyan Zhang, Zhihan Liang, Fei Yang, Shaochang Ji, Ping Lan,
Yexin Liao
Chemical
Name: methylpropanedioic acid pyrazine-2-carboxamide
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.08
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PAZSIW
Authors/Journal
Authors: P.Mohanty, A.Mandal, Bigyan Ranjan Jali, B.Nath
Chemical
Formula: 2(C12 H12 N4 S1),C4 H9 N1 O1
Name: bis(N-(6-aminopyridin-2-yl)-N'-phenylthiourea) morpholine
Synonym:
Source:
Melting Point:
Colour: yellow
Extra Information:
Experimental
R-Factor (%): 4.8
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: PEDMUK
Authors/Journal
Authors: D.Pandit, Renu Chadha, Biswajit Laha, M.K.Gautam, M.Karan,
S.K.Mandal
Chemical
Formula: C22 H24 Cl1 F1 N4 O3,0.5(C8 H8 O3)
Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[3-(morpholin-4-
yl)propoxy]quinazolin-4-amine hemikis(4-hydroxy-3-methoxybenzaldehyde)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.93
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RASVEQ
Authors/Journal
Authors: Guang-Chuan Ou, Hai-Yang Chen, Qiong Wang, Qiang Zhou, Fei
Zeng
Chemical
Name: 1-phenylethan-1-ol 1,3,5,7-tetrakis(2,4-
diethoxyphenyl)adamantane
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [ZURTUE], [ZURWIV]
Experimental
R-Factor (%): 6.44
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RASWER
Authors/Journal
Zeng
Chemical
Name: 1-phenylpropan-1-ol 1,3,5,7-tetrakis(2,4-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information: for stereoisomer see [RASWIV], [RASWOB]
Experimental
R-Factor (%): 6.58
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RASWOB
Authors/Journal
Zeng
Chemical
Name: (R)-1-phenylpropan-1-ol 1,3,5,7-tetrakis(2,4-
Synonym:
Source:
Melting Point:
Colour:
Extra Information: for stereoisomer see [RASWIV]; for racemate see [RASWER]
Experimental
R-Factor (%): 4.05
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RASYAP
Authors/Journal
Zeng
Chemical
Name: 1-phenylethyl acetate 1,3,5,7-tetrakis(2,4-
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.51
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RDAVEY
Authors/Journal
Authors: R.Montis, P.Sacchi, A.J.Cruz-Cabeza, R.J.Davey
Chemical
Name: 2-acetamidobenzamide 2-methyl-4(3H)-quinazolinone
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.68
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RECJOC
Authors/Journal
Authors: I.Andrusenko, J.Hitchen, E.Mugnaioli, J.Potticary, S.R.Hall,
M.Gemmi
Chemical
Name: paracetamol 7,7,8,8-tetracyanoquinodimethan
Synonym: N-(4-hydroxyphenyl)acetamide 2,2'-(cyclohexa-2,5-diene-1,4-
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 37.01
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: RECJUI
Authors/Journal
Authors: I.Andrusenko, J.Hitchen, E.Mugnaioli, J.Potticary, S.R.Hall,
M.Gemmi
Chemical
Name: metacetamol 7,7,8,8-tetracyanoquinodimethan
Synonym: N-(3-hydroxyphenyl)acetamide 2,2'-(cyclohexa-2,5-diene-1,4-
Source:
Melting Point:
Colour:
Extra Information:
Experimental
R-Factor (%): 34.6
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes: We calculate void space in the structure
REFCODE: UGOTER01
Authors/Journal
Authors: Peiqi Wang, Sha Li, Shouwen Jin, Yifan Lu, Bin Liu, Kefei
Dong, Daqi Wang
Chemical
Name: dodecanedioic acid bis(5-methyl-1,3-thiazol-2-amine)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.75
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: UTUVEN
Authors/Journal
Authors: G.Sharma, Anshul Uppal, S.Anthal, M.B.Deshmukh, P.P.Mohire,
T.R.Bhosale, C.Sudarsanakumar, R.Kant
Journal: Eur.J.Chem. , 11, 324, 2020
Chemical
Name: 3,3'-[(2,3-dihydro-1H-benzimidazol-5-yl)methylene]bis(4-
hydroxy-2H-1-benzopyran-2-one) 5-methyl-1,3-thiazol-2(3H)-imine
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 4.35
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAPDOJ
Authors/Journal
Authors: V.Kumar, M.Triglav, V.M.Morin, D.L.Bryce
Journal: ACS Org. Inorg. Au , , , 2022
Chemical
Name: (1,2-phenylene)bis(methylene) bis(selenocyanate) 1,10-
phenanthroline
Synonym: (mu-(1,2-phenylene)bis(methylene))-bis(cyano)-di-selenium
1,10-phenanthroline
Source:
Melting Point:
Extra Information:
Experimental
R-Factor (%): 2.93
Temperature: 292
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAPNUZ
Authors/Journal
Authors: Peiqi Xing, Yue Liu, Bao Li, Zhi-Yong Dong, Hu-Jun Qian, Liyan
Wang
Chemical
Name: bis(4,6-dimethoxy-N$1!,N$3!-bis(pyridin-4-yl)benzene-1,3-
dicarboxamide) naphthalene-2,6-diol
Synonym:
Source:
Melting Point:
Colour: pink
Extra Information:
Experimental
R-Factor (%): 4.76
Temperature: 300
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: VAPPOV
Authors/Journal
Authors: Peiqi Xing, Yue Liu, Bao Li, Zhi-Yong Dong, Hu-Jun Qian, Liyan
Wang
Chemical
Name: 4,6-dimethoxy-N$1!,N$3!-bis(pyridin-4-yl)benzene-1,3-
dicarboxamide 1,2,4,5-tetrafluoro-3,6-diiodobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 2.34
Temperature: 297
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: WEBGET
Authors/Journal
Authors: C.Rodriguez-Ruiz, P.Montes-Tolentino, J.G.Dominguez-Chavez,
H.Morales-Rojas, H.Hopfl, D.Herrera-Ruiz
Chemical
Formula: 2(C14 H11 Cl1 N2 O4 S1),C8 H10 N4 O2
Name: bis(2-chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-
yl)benzene-1-sulfonamide) 1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 5.5
Temperature: 298
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEDFEV
Authors/Journal
Authors: Shen Qiao, Jianhua Wang, Yanwu Yu, Yucun Liu, Zongwei Yang,
Hongzhen Li
Chemical
Name: 1,4-dinitro-1H-imidazole 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Experimental
R-Factor (%): 2.75
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: XEDFIZ
Authors/Journal
Authors: Shen Qiao, Jianhua Wang, Yanwu Yu, Yucun Liu, Zongwei Yang,
Hongzhen Li
Chemical
Name: 1-methyl-3,5-dinitro-1H-1,2,4-triazole 1,3,5-trinitrobenzene
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 3.99
Temperature: 296
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: YAVJAK
Authors/Journal
Authors: G.K.Kole, M.Kumar
Chemical
Name: 5-(2-phenylethenyl)pyrimidine bis(thiourea)
Synonym:
Source:
Melting Point:
Colour: colorless
Extra Information:
Experimental
R-Factor (%): 6.27
Temperature: 293
Intensity Meas: 3
Disorder:
CCDC Notes:
REFCODE: ZASQIX
Authors/Journal
Authors: N.A.Tretyakov, M.V.Dmitriev, A.N.Maslivets
Chemical
Name: 4-hydroxy-2-[(2-hydroxyethyl)iminio]-4-(4-methoxyphenyl)but-3-
enoate 2-{[1-carboxy-3-hydroxy-3-(4-methoxyphenyl)prop-2-en-1-
ylidene]azaniumyl}ethan-1-olate
Synonym:
Source:
Melting Point:
Colour: yellowish
Extra Information:
Experimental
R-Factor (%): 6.33
Temperature: 295
Intensity Meas: 3
Disorder:
CCDC Notes:

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