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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...

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Autores principales: Rivera, Augusto, Pacheco, Dency José, Ríos-Motta, Jaime, Pojarová, Michaela, Dušek, Michal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
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.
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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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