2-Chloro-N-{5-[(4R,5R,10S)-dehydro­abiet-4-yl]-1,3,4-thia­diazol-2-yl}benzamide

There are two independent mol­ecules in the asymmetric unit of the title compound, C(28)H(32)ClN(3)OS (systematic name: 2-chloro-N-{5-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa­hydro­phenanthren-1-yl]-1,3,4-thia­diazol-2-yl}benzamide). In each mol­ecule, the cyclo­hexyl ring a...

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Detalles Bibliográficos
Autores principales: Mo, Qijin, Duan, Wengui, Ma, Xianli, Huang, Jianxin, Ma, Zhen
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100015/
https://www.ncbi.nlm.nih.gov/pubmed/21754102
http://dx.doi.org/10.1107/S1600536811007665
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author Mo, Qijin
Duan, Wengui
Ma, Xianli
Huang, Jianxin
Ma, Zhen
author_facet Mo, Qijin
Duan, Wengui
Ma, Xianli
Huang, Jianxin
Ma, Zhen
author_sort Mo, Qijin
collection PubMed
description There are two independent mol­ecules in the asymmetric unit of the title compound, C(28)H(32)ClN(3)OS (systematic name: 2-chloro-N-{5-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa­hydro­phenanthren-1-yl]-1,3,4-thia­diazol-2-yl}benzamide). In each mol­ecule, the cyclo­hexyl ring attached to the thia­diazole fragment adopts a classic chair conformation with two of its two methyl groups in the axial positions. In the crystal, pairs of inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into centrosymmetric dimers, which are further linked via C—H⋯π inter­actions.
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spelling pubmed-31000152011-07-13 2-Chloro-N-{5-[(4R,5R,10S)-dehydro­abiet-4-yl]-1,3,4-thia­diazol-2-yl}benzamide Mo, Qijin Duan, Wengui Ma, Xianli Huang, Jianxin Ma, Zhen Acta Crystallogr Sect E Struct Rep Online Organic Papers There are two independent mol­ecules in the asymmetric unit of the title compound, C(28)H(32)ClN(3)OS (systematic name: 2-chloro-N-{5-[(1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octa­hydro­phenanthren-1-yl]-1,3,4-thia­diazol-2-yl}benzamide). In each mol­ecule, the cyclo­hexyl ring attached to the thia­diazole fragment adopts a classic chair conformation with two of its two methyl groups in the axial positions. In the crystal, pairs of inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into centrosymmetric dimers, which are further linked via C—H⋯π inter­actions. International Union of Crystallography 2011-03-09 /pmc/articles/PMC3100015/ /pubmed/21754102 http://dx.doi.org/10.1107/S1600536811007665 Text en © Mo 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
Mo, Qijin
Duan, Wengui
Ma, Xianli
Huang, Jianxin
Ma, Zhen
2-Chloro-N-{5-[(4R,5R,10S)-dehydro­abiet-4-yl]-1,3,4-thia­diazol-2-yl}benzamide
title 2-Chloro-N-{5-[(4R,5R,10S)-dehydro­abiet-4-yl]-1,3,4-thia­diazol-2-yl}benzamide
title_full 2-Chloro-N-{5-[(4R,5R,10S)-dehydro­abiet-4-yl]-1,3,4-thia­diazol-2-yl}benzamide
title_fullStr 2-Chloro-N-{5-[(4R,5R,10S)-dehydro­abiet-4-yl]-1,3,4-thia­diazol-2-yl}benzamide
title_full_unstemmed 2-Chloro-N-{5-[(4R,5R,10S)-dehydro­abiet-4-yl]-1,3,4-thia­diazol-2-yl}benzamide
title_short 2-Chloro-N-{5-[(4R,5R,10S)-dehydro­abiet-4-yl]-1,3,4-thia­diazol-2-yl}benzamide
title_sort 2-chloro-n-{5-[(4r,5r,10s)-dehydro­abiet-4-yl]-1,3,4-thia­diazol-2-yl}benzamide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100015/
https://www.ncbi.nlm.nih.gov/pubmed/21754102
http://dx.doi.org/10.1107/S1600536811007665
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AT duanwengui 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide
AT maxianli 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide
AT huangjianxin 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide
AT mazhen 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide

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