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

Date Published: April 01, 2011

Publisher: International Union of Crystallography

Author(s): Qijin Mo, Wengui Duan, Xianli Ma, Jianxin Huang, Zhen Ma.

http://doi.org/10.1107/S1600536811007665

Abstract

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.

Partial Text

For background to the uses of rosin, see: Song (2004 ▶). For the isolation of dehydro­abietic acid, the major component of disproportionated rosin, see: Xu et al. (2009 ▶). For the biolog­ical activity of dehydro­abietic derivatives, see: Sepulveda et al. (2005 ▶). For the synthesis of the title compound, see: Liu et al. (2009 ▶). For related structures, see: Rao et al. (2007 ▶); Gu & Wang (2009 ▶). For standard bond lengths, see: Allen et al. (1987 ▶).

 

Source:

http://doi.org/10.1107/S1600536811007665

 

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