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2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol
In the title compound, C(21)H(17)N(3)O, the imidazole ring is essentially planar, with a maximum deviation of 0.009 (1) Å. The molecule is disordered over two sites corresponding to a rotation of approximately 180° with a refined occupancy ratio of 0.9180 (14):0.0820 (14). The central pyrimidine r...
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/PMC3200579/ https://www.ncbi.nlm.nih.gov/pubmed/22058979 http://dx.doi.org/10.1107/S1600536811032673 |
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author | Eltayeb, Naser Eltaher Teoh, Siang Guan Hemamalini, Madhukar Fun, Hoong-Kun |
author_facet | Eltayeb, Naser Eltaher Teoh, Siang Guan Hemamalini, Madhukar Fun, Hoong-Kun |
author_sort | Eltayeb, Naser Eltaher |
collection | PubMed |
description | In the title compound, C(21)H(17)N(3)O, the imidazole ring is essentially planar, with a maximum deviation of 0.009 (1) Å. The molecule is disordered over two sites corresponding to a rotation of approximately 180° with a refined occupancy ratio of 0.9180 (14):0.0820 (14). The central pyrimidine ring makes dihedral angles of 5.02 (5), 3.97 (5) and 6.28 (5)°, respectively, with the planes of the imidazole and the terminal phenyl rings for the major component; the values for the minor component are 5.8 (7), 5.0 (6) and 8.5 (6)°, respectively. Part of the observed planarity is accounted for in terms of an intramolecular N—H⋯O hydrogen bond. In the crystal, molecules of the major component are connected by O—H⋯N hydrogen bonds, forming supramolecular chains along the c axis. |
format | Online Article Text |
id | pubmed-3200579 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32005792011-11-06 2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol Eltayeb, Naser Eltaher Teoh, Siang Guan Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(17)N(3)O, the imidazole ring is essentially planar, with a maximum deviation of 0.009 (1) Å. The molecule is disordered over two sites corresponding to a rotation of approximately 180° with a refined occupancy ratio of 0.9180 (14):0.0820 (14). The central pyrimidine ring makes dihedral angles of 5.02 (5), 3.97 (5) and 6.28 (5)°, respectively, with the planes of the imidazole and the terminal phenyl rings for the major component; the values for the minor component are 5.8 (7), 5.0 (6) and 8.5 (6)°, respectively. Part of the observed planarity is accounted for in terms of an intramolecular N—H⋯O hydrogen bond. In the crystal, molecules of the major component are connected by O—H⋯N hydrogen bonds, forming supramolecular chains along the c axis. International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200579/ /pubmed/22058979 http://dx.doi.org/10.1107/S1600536811032673 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 Hemamalini, Madhukar Fun, Hoong-Kun 2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
title | 2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
title_full | 2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
title_fullStr | 2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
title_full_unstemmed | 2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
title_short | 2-(5,6-Dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
title_sort | 2-(5,6-dihydrobenzimidazo[1,2-c]quinazolin-6-yl)-5-methylphenol |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200579/ https://www.ncbi.nlm.nih.gov/pubmed/22058979 http://dx.doi.org/10.1107/S1600536811032673 |
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