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2-(5,6-Dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)aniline methanol solvate
In the structure of the title compound, C(20)H(16)N(4)·CH(4)O, the aniline ring forms dihedral angles of 89.9 (2) and 85.4 (2)° with the benzimidazole and benzene rings, respectively. The orientation of the aniline ring is mainly determined by strong hydrogen bonds between the amino group and the no...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969432/ https://www.ncbi.nlm.nih.gov/pubmed/21582846 http://dx.doi.org/10.1107/S1600536809021886 |
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author | Booysen, Irvin Gerber, Thomas I. A. Hosten, Eric Mayer, Peter |
author_facet | Booysen, Irvin Gerber, Thomas I. A. Hosten, Eric Mayer, Peter |
author_sort | Booysen, Irvin |
collection | PubMed |
description | In the structure of the title compound, C(20)H(16)N(4)·CH(4)O, the aniline ring forms dihedral angles of 89.9 (2) and 85.4 (2)° with the benzimidazole and benzene rings, respectively. The orientation of the aniline ring is mainly determined by strong hydrogen bonds between the amino group and the non-fused quinazoline N atom. Intermolecular hydrogen bonds of the N—H⋯N—H⋯N type along [010] and the N—H⋯O—H⋯N type along [100] are formed, resulting in C (2) (2)(4) and C (2) (2)(10) descriptors, respectively, on a binary level of graph-set analysis. There are C—H⋯π contacts with H⋯π distances of 2.44 Å; however, no π-stacking is observed. |
format | Text |
id | pubmed-2969432 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29694322010-12-30 2-(5,6-Dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)aniline methanol solvate Booysen, Irvin Gerber, Thomas I. A. Hosten, Eric Mayer, Peter Acta Crystallogr Sect E Struct Rep Online Organic Papers In the structure of the title compound, C(20)H(16)N(4)·CH(4)O, the aniline ring forms dihedral angles of 89.9 (2) and 85.4 (2)° with the benzimidazole and benzene rings, respectively. The orientation of the aniline ring is mainly determined by strong hydrogen bonds between the amino group and the non-fused quinazoline N atom. Intermolecular hydrogen bonds of the N—H⋯N—H⋯N type along [010] and the N—H⋯O—H⋯N type along [100] are formed, resulting in C (2) (2)(4) and C (2) (2)(10) descriptors, respectively, on a binary level of graph-set analysis. There are C—H⋯π contacts with H⋯π distances of 2.44 Å; however, no π-stacking is observed. International Union of Crystallography 2009-06-13 /pmc/articles/PMC2969432/ /pubmed/21582846 http://dx.doi.org/10.1107/S1600536809021886 Text en © Booysen et al. 2009 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 Booysen, Irvin Gerber, Thomas I. A. Hosten, Eric Mayer, Peter 2-(5,6-Dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)aniline methanol solvate |
title | 2-(5,6-Dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)aniline methanol solvate |
title_full | 2-(5,6-Dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)aniline methanol solvate |
title_fullStr | 2-(5,6-Dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)aniline methanol solvate |
title_full_unstemmed | 2-(5,6-Dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)aniline methanol solvate |
title_short | 2-(5,6-Dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)aniline methanol solvate |
title_sort | 2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)aniline methanol solvate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969432/ https://www.ncbi.nlm.nih.gov/pubmed/21582846 http://dx.doi.org/10.1107/S1600536809021886 |
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