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4-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate
In the title solvated benzimidazole compound, C(20)H(15)N(3)O(2)·C(2)H(6)OS, both the benzimidazole fused-ring system and the complete dimethyl sulfoxide solvent molecule are disordered over two sets of sites, in 0.750 (5):0.250 (5) and 0.882 (4):0.118 (4) ratios, respectively. The conformation of...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152048/ https://www.ncbi.nlm.nih.gov/pubmed/21837112 http://dx.doi.org/10.1107/S160053681102304X |
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author | Eltayeb, Naser Eltaher Teoh, Siang Guan Yeap, Chin Sing Fun, Hoong-Kun |
author_facet | Eltayeb, Naser Eltaher Teoh, Siang Guan Yeap, Chin Sing Fun, Hoong-Kun |
author_sort | Eltayeb, Naser Eltaher |
collection | PubMed |
description | In the title solvated benzimidazole compound, C(20)H(15)N(3)O(2)·C(2)H(6)OS, both the benzimidazole fused-ring system and the complete dimethyl sulfoxide solvent molecule are disordered over two sets of sites, in 0.750 (5):0.250 (5) and 0.882 (4):0.118 (4) ratios, respectively. The conformation of the pyrimidine ring is close to a half-chair for the major disorder component, whereas for the minor component it is close to a boat. The dihydroxyphenyl ring is almost perpendicular to the mean plane of the benzimidazole ring [dihedral angle = 87.3 (2)° for the major disorder component and 88.3 (5)° for the minor disorder component]. In the crystal, molecules are linked into layers parallel to (110) by O—H⋯N and C—H⋯O hydrogen bonds. A bifurcated O—H⋯(O,S) bond links the benzimidazole and solvent molecules. |
format | Online Article Text |
id | pubmed-3152048 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31520482011-08-11 4-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate Eltayeb, Naser Eltaher Teoh, Siang Guan Yeap, Chin Sing Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title solvated benzimidazole compound, C(20)H(15)N(3)O(2)·C(2)H(6)OS, both the benzimidazole fused-ring system and the complete dimethyl sulfoxide solvent molecule are disordered over two sets of sites, in 0.750 (5):0.250 (5) and 0.882 (4):0.118 (4) ratios, respectively. The conformation of the pyrimidine ring is close to a half-chair for the major disorder component, whereas for the minor component it is close to a boat. The dihydroxyphenyl ring is almost perpendicular to the mean plane of the benzimidazole ring [dihedral angle = 87.3 (2)° for the major disorder component and 88.3 (5)° for the minor disorder component]. In the crystal, molecules are linked into layers parallel to (110) by O—H⋯N and C—H⋯O hydrogen bonds. A bifurcated O—H⋯(O,S) bond links the benzimidazole and solvent molecules. International Union of Crystallography 2011-06-18 /pmc/articles/PMC3152048/ /pubmed/21837112 http://dx.doi.org/10.1107/S160053681102304X Text en © Eltayeb et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Eltayeb, Naser Eltaher Teoh, Siang Guan Yeap, Chin Sing Fun, Hoong-Kun 4-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate |
title | 4-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate |
title_full | 4-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate |
title_fullStr | 4-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate |
title_full_unstemmed | 4-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate |
title_short | 4-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate |
title_sort | 4-(5,6-dihydrobenzimidazo[1,2-c]quinazolin-6-yl)benzene-1,3-diol dimethyl sulfoxide monosolvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3152048/ https://www.ncbi.nlm.nih.gov/pubmed/21837112 http://dx.doi.org/10.1107/S160053681102304X |
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