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

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, C28H32ClN3OS (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 t...

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Main Authors: Qijin Mo, Wengui Duan, Xianli Ma, Jianxin Huang, Zhen Ma
Format: Article
Language:English
Published: International Union of Crystallography 2011-04-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536811007665
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spelling doaj-86124b1253a14c1f8bfc6662a356a3f62020-11-25T00:14:39ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-04-01674o816o81710.1107/S16005368110076652-Chloro-N-{5-[(4R,5R,10S)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamideQijin MoWengui DuanXianli MaJianxin HuangZhen MaThere are two independent molecules in the asymmetric unit of the title compound, C28H32ClN3OS (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. http://scripts.iucr.org/cgi-bin/paper?S1600536811007665
collection DOAJ
language English
format Article
sources DOAJ
author Qijin Mo
Wengui Duan
Xianli Ma
Jianxin Huang
Zhen Ma
spellingShingle Qijin Mo
Wengui Duan
Xianli Ma
Jianxin Huang
Zhen Ma
2-Chloro-N-{5-[(4R,5R,10S)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamide
Acta Crystallographica Section E
author_facet Qijin Mo
Wengui Duan
Xianli Ma
Jianxin Huang
Zhen Ma
author_sort Qijin Mo
title 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_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_sort 2-chloro-n-{5-[(4r,5r,10s)-dehydroabiet-4-yl]-1,3,4-thiadiazol-2-yl}benzamide
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2011-04-01
description There are two independent molecules in the asymmetric unit of the title compound, C28H32ClN3OS (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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536811007665
work_keys_str_mv AT qijinmo 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide
AT wenguiduan 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide
AT xianlima 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide
AT jianxinhuang 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide
AT zhenma 2chloron54r5r10sdehydroabiet4yl134thiadiazol2ylbenzamide
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