Crystallography Open Database

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2017875 CIF
HKL
Paper
C13 H32 O15P 21 21 214.7071; 20.125; 20.903
90; 90; 90
1980.1Zhang, Wenhui; Oliver, Allen G.; Serianni, Anthony S.
Methyl β-<small>D</small>-galactopyranosyl-(1\ρightarrow 4)-β-<small>D</small>-allopyranoside tetrahydrate
Acta Crystallographica Section C, 2010, 66, o484-o487
2017876 CIF
Paper
C26 H28 N2 O4 SP -18.7346; 10.187; 14.253
70.79; 76.059; 78.143
1151.3Darshan, Govindaiah; Vasu; Chopra, Deepak; Saravanan, Janardhanan
<i>N</i>-(<i>X</i>-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3
Acta Crystallographica Section C, 2010, 66, o571-o574
2017877 CIF
HKL
Paper
C26 H28 N2 O4 SP b c a13.437; 12.993; 27.088
90; 90; 90
4729Darshan, Govindaiah; Vasu; Chopra, Deepak; Saravanan, Janardhanan
<i>N</i>-(<i>X</i>-Methylphenyl)-2-{(<i>Z</i>)-[(2,3,4-trimethoxyphenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, where <i>X</i> = 2 and 3
Acta Crystallographica Section C, 2010, 66, o571-o574
2017878 CIF
HKL
Paper
C14 H12 N2 OC 1 2/c 127.922; 6.4261; 14.668
90; 118.849; 90
2305.2Cuenú, Fernando; Abonía, Rodrigo; Cobo, Justo; Glidewell, Christopher
1-(2-Aminophenyl)-3-(4-pyridyl)prop-2-en-1-one: a three-dimensional framework structure built from N—H···N, C—H···O and C—H···π(arene) hydrogen bonds
Acta Crystallographica Section C, 2010, 66, o589-o592
2017879 CIF
HKL
Paper
O11 Sr V6P 63/m m c5.7773; 5.7773; 13.0852
90; 90; 120
378.234Hata, Yoshiaki; Kanke, Yasushi; Kita, Eiji
The structural phase transition in SrV~6~O~11~
Acta Crystallographica Section C, 2010, 66, i99-i102
2017880 CIF
HKL
Paper
O11 Sr V6P 63 m c5.7702; 5.7702; 13.0784
90; 90; 120
377.109Hata, Yoshiaki; Kanke, Yasushi; Kita, Eiji
The structural phase transition in SrV~6~O~11~
Acta Crystallographica Section C, 2010, 66, i99-i102
2017881 CIF
HKL
Paper
C12 H19.5 I N4 O2.25 SP -111.9437; 12.5913; 13.8768
104.9; 100.968; 115.129
1715.6Li, Shu-Qiang; Hu, Ning-Hai
Interaction of thiamine with anions in the triclinic form of thiamine iodide: 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium iodide 1.25-hydrate
Acta Crystallographica Section C, 2010, 66, o581-o584
2017882 CIF
HKL
Paper
C23 H19 N7P -15.88; 11.46; 16.14
103.53; 99.31; 104.61
994.6Danielraj, Paulraj; Varghese, Babu; Sankararaman, S.
2,6-Bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)pyridine and its octahedral copper complex
Acta Crystallographica Section C, 2010, 66, m366-m370
2017883 CIF
HKL
Paper
C28 H26 B2 Cu F8 N8 OP -18.299; 12.956; 14.52
88.56; 84.76; 87.36
1552.7Danielraj, Paulraj; Varghese, Babu; Sankararaman, S.
2,6-Bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)pyridine and its octahedral copper complex
Acta Crystallographica Section C, 2010, 66, m366-m370
2017884 CIF
HKL
Paper
C46 H48 Mn N12 O14P -17.278; 11.977; 14.268
81.31; 76.269; 85.793
1193.4Wang, Zi-Liang; Wei, Lin-heng; Li, Ming-Xue
A three-dimensional framework in 2,2'-biimidazolium bis(2,2'-biimidazole-κ^2^<i>N</i>,<i>N</i>')bis(biphenyl-2,4'-dicarboxylato-κ<i>O</i>)manganese(II) hexahydrate
Acta Crystallographica Section C, 2010, 66, m387-m390
2017885 CIF
HKL
Paper
C12 H17 Cl N2 O SP -16.9961; 7.9421; 13.0864
73.3925; 84.1579; 70.8388
658.168Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui
Polymorphism in 2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride
Acta Crystallographica Section C, 2010, 66, o593-o595
2017886 CIF
HKL
Paper
C12 H17 Cl N2 O SP 1 21/c 111.8877; 9.212; 12.6673
90; 99.0242; 90
1370.02Gutierrez, Julio; Eisenberg, Rodney; Herrensmith, Gabrielle; Tobin, Thomas; Li, Tonglei; Long, Sihui
Polymorphism in 2-(4-hydroxy-2,6-dimethylanilino)-5,6-dihydro-4<i>H</i>-1,3-thiazin-3-ium chloride
Acta Crystallographica Section C, 2010, 66, o593-o595
2017887 CIF
HKL
Paper
C12 H15 N5 O8P 1 21/c 113.4426; 13.7495; 8.3662
90; 100.752; 90
1519.2Smith, Graham; Wermuth, Urs D.
Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate
Acta Crystallographica Section C, 2010, 66, o609-o613
2017888 CIF
HKL
Paper
C13 H16 N4 O8P 1 21/n 111.7131; 12.645; 11.8521
90; 118.196; 90
1547.1Smith, Graham; Wermuth, Urs D.
Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate
Acta Crystallographica Section C, 2010, 66, o609-o613
2017889 CIF
HKL
Paper
C13 H16 N4 O8P -16.4628; 10.2375; 23.8964
98.644; 96.905; 100.753
1517.65Smith, Graham; Wermuth, Urs D.
Anhydrous 1:1 proton-transfer compounds of isonipecotamide with picric acid and 3,5-dinitrosalicylic acid: 4-carbamoylpiperidinium 2,4,6-trinitrophenolate and two polymorphs of 4-carbamoylpiperidinium 2-carboxy-4,6-dinitrophenolate
Acta Crystallographica Section C, 2010, 66, o609-o613
2017890 CIF
HKL
Paper
C10 H22 N6 O4P 1 21/c 110.7425; 16.0538; 8.5067
90; 97.224; 90
1455.4Smith, Graham; Wermuth, Urs D.
Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids <i>rac</i>-<i>trans</i>-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate)
Acta Crystallographica Section C, 2010, 66, o575-o580
2017891 CIF
HKL
Paper
C9 H13 N3 O5C 1 2/c 120.97; 5.1421; 22.241
90; 107.577; 90
2286.3Smith, Graham; Wermuth, Urs D.
Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids <i>rac</i>-<i>trans</i>-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate)
Acta Crystallographica Section C, 2010, 66, o575-o580
2017892 CIF
HKL
Paper
C10 H22 N6 O7C 1 2/c 118.0402; 5.142; 18.1496
90; 110.297; 90
1579.07Smith, Graham; Wermuth, Urs D.
Three-dimensional hydrogen-bonded structures in the guanidinium salts of the monocyclic dicarboxylic acids <i>rac</i>-<i>trans</i>-cyclohexane-1,2-dicarboxylic acid (2:1, anhydrous), isophthalic acid (1:1, monohydrate) and terephthalic acid (2:1, trihydrate)
Acta Crystallographica Section C, 2010, 66, o575-o580
2017893 CIF
HKL
Paper
C18 H58 Nd2 O33C m c m24.0265; 8.7253; 19.4746
90; 90; 90
4082.6Zehnder, Ralph A.; Fontaine, Nick C.; Zeller, Matthias; Renn, Robert A.
Poly[[tetraaquadi-μ~4~-glutarato-μ~2~-terephthalato-dineodymium(III)] heptadecahydrate]
Acta Crystallographica Section C, 2010, 66, m371-m374
2017894 CIF
HKL
Paper
C16 H18 O6P b c n12.4911; 8.51; 13.2883
90; 90; 90
1412.54Langer, Vratislav; Lundquist, Knut
5,5'-Bis(hydroxymethyl)-3,3'-dimethoxybiphenyl-2,2'-diol with a new three-dimensional 3-modal topology of synthons
Acta Crystallographica Section C, 2010, 66, o606-o608
2017895 CIF
HKL
Paper
C12 H17 N O4 SP 1 21 17.7873; 7.1895; 11.1111
90; 99.274; 90
613.94Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.
Four novel spirooxazacamphorsultam derivatives
Acta Crystallographica Section C, 2010, 66, o600-o605
2017896 CIF
HKL
Paper
C78 H234 N6 O64 Si8P -115.5889; 15.9297; 16.2269
60.863; 72.511; 82.119
3356.8Verlooy, Pieter L. H.; Robeyns, Koen; Van Meervelt, Luc; Kirschhock, Christine E. A.; Martens, Johan A.
Hexakis(adamantyltrimethylammonium) cyclooctasilicate tetratetracontahydrate
Acta Crystallographica Section C, 2010, 66, o619-o622
2017897 CIF
HKL
Paper
C5 H10 Cu O6P 1 21 17.0202; 5.6645; 9.938
90; 106.06; 90
379.77Guo, Ming-Lin; Wang, Feng-Qin
Poly[[aqua-μ~3~-2,2-dimethylmalonato-copper(II)] monohydrate] and poly[aqua-μ~3~-2,2-dimethylmalonato-copper(II)]
Acta Crystallographica Section C, 2010, 66, m379-m383
2017898 CIF
HKL
Paper
C5 H8 Cu O5P 1 21/c 18.7697; 8.5492; 9.3313
90; 105.42; 90
674.4Guo, Ming-Lin; Wang, Feng-Qin
Poly[[aqua-μ~3~-2,2-dimethylmalonato-copper(II)] monohydrate] and poly[aqua-μ~3~-2,2-dimethylmalonato-copper(II)]
Acta Crystallographica Section C, 2010, 66, m379-m383
2017899 CIF
HKL
Paper
C8 H6 O4P 1 21/c 13.7762; 16.3219; 11.6334
90; 91.525; 90
716.77Lu, Yu-Bing; Yang, Ping; Huang, Wen-Na; Yang, Yan-Na; Wu, Jian-Zhong
5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate
Acta Crystallographica Section C, 2010, 66, o596-o599
2017900 CIF
HKL
Paper
C14 H10 N2 O3P b c a16.2033; 8.1005; 18.8425
90; 90; 90
2473.17Lu, Yu-Bing; Yang, Ping; Huang, Wen-Na; Yang, Yan-Na; Wu, Jian-Zhong
5-Formylsalicylic acid and 5-(benzimidazolium-2-yl)salicylate
Acta Crystallographica Section C, 2010, 66, o596-o599
2017901 CIF
HKL
Paper
C17 H32 O2 S3P -16.775; 6.924; 22.815
84.69; 84.73; 68.34
988.5Zuluaga, Fabio; Grande, Carlos; Cobo, Justo; Glidewell, Christopher
2-{[(Dodecylsulfanyl)carbonothioyl]sulfanyl}-2-methylpropanoic acid: a chain of edge-fused <i>R</i>~2~^2^(8) and <i>R</i>~4~^4^(20) rings built from O—H···O and C—H···O hydrogen bonds
Acta Crystallographica Section C, 2010, 66, o627-o630
2017902 CIF
HKL
Paper
C46 H58 N4 O2 Pd S4P 1 21/c 116.586; 14.082; 10.507
90; 103.22; 90
2389Tarafder, M. T. H.; Islam, M. A. A. A. A.; Howlader, M. B. H.; Guidolin, N.; Zangrando, E.
Bis[<i>S</i>-benzyl-3-(4-<i>n</i>-octyloxybenzylidene)dithiocarbazato-κ^2^<i>N</i>^3^,<i>S</i>']palladium(II)
Acta Crystallographica Section C, 2010, 66, m363-m365
2017903 CIF
HKL
Paper
C36 H24 N2 O2P b c a7.1523; 20.0145; 36.8669
90; 90; 90
5277.5Hübscher, Jörg; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin
The <i>m</i>-phenylene-bridged bis-oxazole 4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole and its bulkily substituted analogue 4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi-1,3-oxazole
Acta Crystallographica Section C, 2010, 66, o623-o626
2017904 CIF
HKL
Paper
C52 H56 N2 O2P -110.3121; 11.1215; 19.8676
91.593; 96.918; 108.463
2140.25Hübscher, Jörg; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin
The <i>m</i>-phenylene-bridged bis-oxazole 4,4',5,5'-tetraphenyl-2,2'-<i>m</i>-phenylenedi-1,3-oxazole and its bulkily substituted analogue 4,4',5,5'-tetrakis(4-<i>tert</i>-butylphenyl)-2,2'-<i>m</i>-phenylenedi-1,3-oxazole
Acta Crystallographica Section C, 2010, 66, o623-o626
2017905 CIF
HKL
Paper
C28 H22.3 Cd N4 O4.15P 1 21/c 111.0099; 12.558; 19.2362
90; 99.635; 90
2622.1Li, Jie; Li, Chuanjiang; Wang, Zi-Liang
Poly[[(μ~2~-biphenyl-2,4'-dicarboxylato)[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene]cadmium(II)] 0.15-hydrate]
Acta Crystallographica Section C, 2010, 66, m384-m386
2017906 CIF
HKL
Paper
C13 H17 N3 O5C 1 2/c 129.035; 9.766; 10.5779
90; 105.02; 90
2897Smith, Graham; Wermuth, Urs D.
Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid
Acta Crystallographica Section C, 2010, 66, o614-o618
2017907 CIF
HKL
Paper
C13 H17 N3 O5P 1 21/c 114.2504; 6.8276; 15.458
90; 115.41; 90
1358.5Smith, Graham; Wermuth, Urs D.
Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid
Acta Crystallographica Section C, 2010, 66, o614-o618
2017908 CIF
HKL
Paper
C13 H17 N3 O5P 1 21/c 17.5371; 12.4216; 15.0911
90; 99.848; 90
1392.1Smith, Graham; Wermuth, Urs D.
Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid
Acta Crystallographica Section C, 2010, 66, o614-o618
2017909 CIF
HKL
Paper
C13 H16 N4 O7P -15.7159; 11.997; 12.6447
111.37; 99.504; 100.772
767.04Smith, Graham; Wermuth, Urs D.
Hydrogen bonding in the anhydrous 1:1 proton-transfer compounds of isonipecotamide with nitro-substituted benzoic acids: the salts of the three isomeric mononitrobenzoic acids and of 3,5-dinitrobenzoic acid
Acta Crystallographica Section C, 2010, 66, o614-o618
2017910 CIF
HKL
Paper
C13 H19 N O4 SP 1 21 17.697; 6.9954; 12.2852
90; 98.145; 90
654.81Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.
Four novel spirooxazacamphorsultam derivatives
Acta Crystallographica Section C, 2010, 66, o600-o605
2017911 CIF
HKL
Paper
C12 H19 N O4 SP 21 21 217.3091; 10.9033; 15.211
90; 90; 90
1212.2Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.
Four novel spirooxazacamphorsultam derivatives
Acta Crystallographica Section C, 2010, 66, o600-o605
2017912 CIF
HKL
Paper
C13 H21 N O4 SC 1 2 116.5474; 7.5668; 11.5945
90; 115.376; 90
1311.7Wilke, Burkhardt I.; Goodenough, Angela K.; Bausch, Cory C.; Cline, Erika N.; Abrams, M. Leigh; Fayer, Effrat L.; Swenson, Dale C.; Cermak, Diana M.
Four novel spirooxazacamphorsultam derivatives
Acta Crystallographica Section C, 2010, 66, o600-o605
2017913 CIF
HKL
Paper
C12 H16 F N O5P 1 21 16.4612; 6.7246; 14.501
90; 102.151; 90
615.9Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.
Intermolecular C—F···H—C contacts in the molecular packing of three isostructural <i>N</i>-(fluorophenyl)mannopyranosylamines
Acta Crystallographica Section C, 2010, 66, o565-o570
2017914 CIF
HKL
Paper
C12 H16 F N O5P 1 21 16.4579; 6.7248; 14.5052
90; 102.364; 90
615.32Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.
Intermolecular C—F···H—C contacts in the molecular packing of three isostructural <i>N</i>-(fluorophenyl)mannopyranosylamines
Acta Crystallographica Section C, 2010, 66, o565-o570
2017915 CIF
HKL
Paper
C12 H16 F N O5P 21 21 216.4133; 6.6924; 28.699
90; 90; 90
1231.8Ojala, William H.; Skrypek, Thomas M.; MacQueen, Brianna C.; Ojala, Charles R.
Intermolecular C—F···H—C contacts in the molecular packing of three isostructural <i>N</i>-(fluorophenyl)mannopyranosylamines
Acta Crystallographica Section C, 2010, 66, o565-o570
2017916 CIF
HKL
Paper
C19 H19 Cu N3 O5P 1 21/c 18.4719; 23.586; 9.8635
90; 103.683; 90
1915Jiang, Li-Fang
<i>catena</i>-Poly[copper(II)-di-μ-acetylacetonato-copper(II)-bis(μ-4-hydroxy-3-methoxybenzaldehyde picoloylhydrazonato)] and (acetylacetonato)(4-methoxybenzaldehyde picoloylhydrazonato)copper(II)
Acta Crystallographica Section C, 2010, 66, m375-m378
2017917 CIF
HKL
Paper
C19 H19 Cu N3 O4P 1 21/c 17.4198; 14.969; 15.885
90; 91.78; 90
1763.4Jiang, Li-Fang
<i>catena</i>-Poly[copper(II)-di-μ-acetylacetonato-copper(II)-bis(μ-4-hydroxy-3-methoxybenzaldehyde picoloylhydrazonato)] and (acetylacetonato)(4-methoxybenzaldehyde picoloylhydrazonato)copper(II)
Acta Crystallographica Section C, 2010, 66, m375-m378
2017918 CIF
HKL
Paper
C23 H26 F2 N2 O4P 21 21 215.49; 15.72; 24.82
90; 90; 90
2142Czerwinski, Andrzej; Valenzuela, Francisco; Afonine, Pavel; Dauter, Miroslawa; Dauter, Zbigniew
<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}-(<i>S</i>)-phenylglycine <i>tert</i>-butyl ester (DAPT): an inhibitor of γ-secretase, revealing fine electronic and hydrogen-bonding features
Acta Crystallographica Section C, 2010, 66, o585-o588
2017919 CIF
Paper
C23 H26 F2 N2 O4P 21 21 215.49; 15.72; 24.82
90; 90; 90
2142.03Czerwinski, Andrzej; Valenzuela, Francisco; Afonine, Pavel; Dauter, Miroslawa; Dauter, Zbigniew
<i>N</i>-{<i>N</i>-[2-(3,5-Difluorophenyl)acetyl]-(<i>S</i>)-alanyl}-(<i>S</i>)-phenylglycine <i>tert</i>-butyl ester (DAPT): an inhibitor of γ-secretase, revealing fine electronic and hydrogen-bonding features
Acta Crystallographica Section C, 2010, 66, o585-o588

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