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4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a(1),6,7,7a,8,12b-dodecahydrobenzo[f]cycloocta[cd]isoindol-8-yl)benzonitrile
In the title compound, C(31)H(30)N(2)O, the cis-fused cyclohexene and cyclooctane rings adopt boat and boat-chair conformations, respectively. The essentially planar five-membered N-heterocyclic ring [r.m.s. deviation = 0.017 (1) Å] is cis- and trans-fused, respectively, with the cyclohexene and...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629602/ https://www.ncbi.nlm.nih.gov/pubmed/23634089 http://dx.doi.org/10.1107/S1600536813006880 |
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author | Zhang, Yu-Long Hu, Yi-Min |
author_facet | Zhang, Yu-Long Hu, Yi-Min |
author_sort | Zhang, Yu-Long |
collection | PubMed |
description | In the title compound, C(31)H(30)N(2)O, the cis-fused cyclohexene and cyclooctane rings adopt boat and boat-chair conformations, respectively. The essentially planar five-membered N-heterocyclic ring [r.m.s. deviation = 0.017 (1) Å] is cis- and trans-fused, respectively, with the cyclohexene and cyclooctane rings. In the crystal, molecules are linked into inversion dimers through pairs of weak C—H⋯O interactions. |
format | Online Article Text |
id | pubmed-3629602 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36296022013-04-30 4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a(1),6,7,7a,8,12b-dodecahydrobenzo[f]cycloocta[cd]isoindol-8-yl)benzonitrile Zhang, Yu-Long Hu, Yi-Min Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(31)H(30)N(2)O, the cis-fused cyclohexene and cyclooctane rings adopt boat and boat-chair conformations, respectively. The essentially planar five-membered N-heterocyclic ring [r.m.s. deviation = 0.017 (1) Å] is cis- and trans-fused, respectively, with the cyclohexene and cyclooctane rings. In the crystal, molecules are linked into inversion dimers through pairs of weak C—H⋯O interactions. International Union of Crystallography 2013-03-16 /pmc/articles/PMC3629602/ /pubmed/23634089 http://dx.doi.org/10.1107/S1600536813006880 Text en © Zhang and Hu 2013 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 Zhang, Yu-Long Hu, Yi-Min 4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a(1),6,7,7a,8,12b-dodecahydrobenzo[f]cycloocta[cd]isoindol-8-yl)benzonitrile |
title | 4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a(1),6,7,7a,8,12b-dodecahydrobenzo[f]cycloocta[cd]isoindol-8-yl)benzonitrile |
title_full | 4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a(1),6,7,7a,8,12b-dodecahydrobenzo[f]cycloocta[cd]isoindol-8-yl)benzonitrile |
title_fullStr | 4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a(1),6,7,7a,8,12b-dodecahydrobenzo[f]cycloocta[cd]isoindol-8-yl)benzonitrile |
title_full_unstemmed | 4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a(1),6,7,7a,8,12b-dodecahydrobenzo[f]cycloocta[cd]isoindol-8-yl)benzonitrile |
title_short | 4-(6-Benzyl-7-oxo-1,2,3,4,5,5a,5a(1),6,7,7a,8,12b-dodecahydrobenzo[f]cycloocta[cd]isoindol-8-yl)benzonitrile |
title_sort | 4-(6-benzyl-7-oxo-1,2,3,4,5,5a,5a(1),6,7,7a,8,12b-dodecahydrobenzo[f]cycloocta[cd]isoindol-8-yl)benzonitrile |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629602/ https://www.ncbi.nlm.nih.gov/pubmed/23634089 http://dx.doi.org/10.1107/S1600536813006880 |
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