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1,1′-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole)
The cyclohexane ring in the title compound, C(21)H(24)N(8), adopts a chair conformation and the five-membered heterocyclic ring to which it is fused adopts a twist conformation on their common C—C bond. The substituents on the N atoms of the central five-membered heterocycle are arranged trans with...
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/PMC3247461/ https://www.ncbi.nlm.nih.gov/pubmed/22220079 http://dx.doi.org/10.1107/S160053681104044X |
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author | Rivera, Augusto Pacheco, Dency José Ríos-Motta, Jaime Pojarová, Michaela Dušek, Michal |
author_facet | Rivera, Augusto Pacheco, Dency José Ríos-Motta, Jaime Pojarová, Michaela Dušek, Michal |
author_sort | Rivera, Augusto |
collection | PubMed |
description | The cyclohexane ring in the title compound, C(21)H(24)N(8), adopts a chair conformation and the five-membered heterocyclic ring to which it is fused adopts a twist conformation on their common C—C bond. The substituents on the N atoms of the central five-membered heterocycle are arranged trans with respect to the central ring. The terminal benzotriazole rings are oriented at angles of 74.66 (8) and 84.18 (8)° with respect to the mean plane of the central heterocycle. The angle between the two benzotriazole rings is 30.80 (9)°. The bond lengths and angles are within normal ranges; the largest deviation from expectation is for a long N—CH(2) bond length [1.476 (2) Å] as a consequence of an anomeric effect. In the crystal, molecules are connected by C—H⋯N hydrogen bonds. |
format | Online Article Text |
id | pubmed-3247461 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32474612012-01-04 1,1′-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole) Rivera, Augusto Pacheco, Dency José Ríos-Motta, Jaime Pojarová, Michaela Dušek, Michal Acta Crystallogr Sect E Struct Rep Online Organic Papers The cyclohexane ring in the title compound, C(21)H(24)N(8), adopts a chair conformation and the five-membered heterocyclic ring to which it is fused adopts a twist conformation on their common C—C bond. The substituents on the N atoms of the central five-membered heterocycle are arranged trans with respect to the central ring. The terminal benzotriazole rings are oriented at angles of 74.66 (8) and 84.18 (8)° with respect to the mean plane of the central heterocycle. The angle between the two benzotriazole rings is 30.80 (9)°. The bond lengths and angles are within normal ranges; the largest deviation from expectation is for a long N—CH(2) bond length [1.476 (2) Å] as a consequence of an anomeric effect. In the crystal, molecules are connected by C—H⋯N hydrogen bonds. International Union of Crystallography 2011-10-29 /pmc/articles/PMC3247461/ /pubmed/22220079 http://dx.doi.org/10.1107/S160053681104044X Text en © Rivera 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 Rivera, Augusto Pacheco, Dency José Ríos-Motta, Jaime Pojarová, Michaela Dušek, Michal 1,1′-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole) |
title | 1,1′-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole) |
title_full | 1,1′-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole) |
title_fullStr | 1,1′-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole) |
title_full_unstemmed | 1,1′-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole) |
title_short | 1,1′-[(2,3,3a,4,5,6,7,7a-Octahydro-1H-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1H-benzotriazole) |
title_sort | 1,1′-[(2,3,3a,4,5,6,7,7a-octahydro-1h-1,3-benzimidazole-1,3-diyl)bis(methylene)]bis(1h-benzotriazole) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3247461/ https://www.ncbi.nlm.nih.gov/pubmed/22220079 http://dx.doi.org/10.1107/S160053681104044X |
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