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1-苄基-2-苯基-1H-苯并咪唑-4,4'-(环己烷-1,1-二亚基)二苯酚(1/1)

1-Benzyl-2-phenyl-1H-benzimidazole-4,4'-(cyclo-hexane-1,1-di-yl)diphenol (1/1).

作者信息

Ge Chunhua, Zhang Rui, Zhang Xiangdong, Li Su

机构信息

College of Chemistry, Liaoning University, Shenyang, Liaoning 110036, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jul 1;67(Pt 7):o1829. doi: 10.1107/S1600536811024007. Epub 2011 Jun 25.

Abstract

The asymmetric unit of the title co-crystal, C(20)H(16)N(2)·C(18)H(20)O(2), contains one mol-ecule of 4,4'-(cyclo-hexane-1,1-di-yl)diphenol (in which the cyclo-hexane ring adopts a chair conformation) and one mol-ecule of 1-benzyl-2-phenyl-1H-benzimidazole, which are paired through an O-H⋯N hydrogen bond. These pairs are further linked by inter-molecular O-H⋯O hydrogen bonds into chains along [010]. Weak inter-molecular C-H⋯O and C-H⋯π inter-actions further consolidate the crystal packing. The dihedral angles between the pendant phenyl rings and the benzimidazole ring are 86.9 (2) and 43.1 (2)°.

摘要

标题共晶体C(20)H(16)N(2)·C(18)H(20)O(2)的不对称单元包含一个4,4'-(环己烷-1,1-二亚基)二苯酚分子(其中环己烷环呈椅式构象)和一个1-苄基-2-苯基-1H-苯并咪唑分子,它们通过O-H⋯N氢键配对。这些对通过分子间O-H⋯O氢键进一步连接成沿[010]方向的链。弱分子间C-H⋯O和C-H⋯π相互作用进一步巩固了晶体堆积。悬垂苯环与苯并咪唑环之间的二面角分别为86.9 (2)°和43.1 (2)°。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0703/3152116/0b8c08df9b52/e-67-o1829-fig1.jpg

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