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2-Chloro-N-{5-[(4R,5R,10S)-dehydro-abiet-4-yl]-1,3,4-thia-diazol-2-yl}benzamide.

ABSTRACT: There are two independent mol-ecules 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-octa-hydro-phenanthren-1-yl]-1,3,4-thia-diazol-2-yl}benzamide). In each mol-ecule, the cyclo-hexyl ring attached to the thia-diazole fragment adopts a classic chair conformation with two of its two methyl groups in the axial positions. In the crystal, pairs of inter-molecular N-H?N hydrogen bonds link the mol-ecules into centrosymmetric dimers, which are further linked via C-H?? inter-actions.

SUBMITTER: Mo Q 

PROVIDER: S-EPMC3100015 | biostudies-literature | 2011 Apr

REPOSITORIES: biostudies-literature

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2-Chloro-N-{5-[(4R,5R,10S)-dehydro-abiet-4-yl]-1,3,4-thia-diazol-2-yl}benzamide.

Mo Qijin Q   Duan Wengui W   Ma Xianli X   Huang Jianxin J   Ma Zhen Z  

Acta crystallographica. Section E, Structure reports online 20110309 Pt 4

There are two independent mol-ecules 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-octa-hydro-phenanthren-1-yl]-1,3,4-thia-diazol-2-yl}benzamide). In each mol-ecule, the cyclo-hexyl ring attached to the thia-diazole fragment adopts a classic chair conformation with two of its two methyl groups in the axial positions. In the crystal, pairs of inter-molecular N-H⋯N hydrogen bonds link th  ...[more]

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