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2-正丁基-6-氯-1-(2,4-二甲基苯基磺酰基)-1H-苯并咪唑-2-正丁基-5-氯-1-(2,4-二甲基苯基磺酰基)-1H-苯并咪唑(0.759/0.241)

2-n-Butyl-6-chloro-1-(2,4-dimethyl-phenyl-sulfon-yl)-1H-benzimidazole-2-n-butyl-5-chloro-1-(2,4-dimethyl-phenyl-sulfon-yl)-1H-benzimidazole (0.759/0.241).

作者信息

Abdireymov K B, Mukhamedov N S, Okmanov R Ya, Ayimbetov M J, Tashkhodjaev B

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):o3345-6. doi: 10.1107/S1600536811047957. Epub 2011 Nov 19.

Abstract

The title compound, 0.759C(19)H(21)ClN(2)O(2)S·0.241C(19)H(21)ClN(2)O(2)S, was synthesized by aryl-sulfonyl-ation of 2-n-butyl-5-chloro-1H-benzimidazole in the presence of triethyl-amine. The crystal structure is composed of two mol-ecules, 2-n-butyl-6-chloro-1-(2,4-dimethylphenyl-sulfon-yl)-1H-benzimidazole and 1-(2,4-dimethylphenyl-sulfon-yl)-2-n-butyl-5-chloro-1H-benz-imidazole, in the refined ratio of 0.759 (4):0.241 (4) disordered at the same position in the unit cell. The mol-ecule has three essentially planar fragments viz. benzimidazole, dimethyl-benzene and n-butyl (r.m.s. deviations of 0.009, 0.024 and 0.003 Å, respectively). The angle between the benzimidazole and dimethyl-benzene fragments is 86.0 (1)°. In the crystal, pairs of inter-molecular C-H⋯π inter-actions form centrosymmetrical dimers, which are linked by weak inter-molecular C-H⋯O hydrogen bonds.

摘要

标题化合物0.759C(19)H(21)ClN(2)O(2)S·0.241C(19)H(21)ClN(2)O(2)S是通过在三乙胺存在下对2-正丁基-5-氯-1H-苯并咪唑进行芳基磺酰化反应合成的。晶体结构由两个分子组成,即2-正丁基-6-氯-1-(2,4-二甲基苯基磺酰基)-1H-苯并咪唑和1-(2,4-二甲基苯基磺酰基)-2-正丁基-5-氯-1H-苯并咪唑,在晶胞的同一位置以0.759 (4):0.241 (4)的比例无序排列。该分子有三个基本平面片段,即苯并咪唑、二甲基苯和正丁基(均方根偏差分别为0.009、0.024和0.003 Å)。苯并咪唑片段和二甲基苯片段之间的夹角为86.0 (1)°。在晶体中,分子间的C-H⋯π相互作用对形成中心对称二聚体,这些二聚体通过弱的分子间C-H⋯O氢键相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2c29/3238991/68817b75a8e9/e-67-o3345-fig1.jpg

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