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2-(4-Methyl-sulfanylphen-yl)-1H-benzimidazol-3-ium bromide.

作者信息

Ziaulla Mohamed, Manjunatha M N, Sankolli Ravish, Nagasundara K R, Begum Noor Shahina

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 12;67(Pt 2):o341-2. doi: 10.1107/S1600536811000146.

Abstract

In the cation of the title compound, C(14)H(13)N(2)S(+)·Br(-), the essentially planar benzimidazole system (r.m.s. deviation = 0.0082 Å) is substituted with a 4-methyl-sulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methyl-sulfanylphenyl ring is 2.133 (2)°. The crystal structure is characterized by strong and highly directional inter-molecular N-H⋯Br hydrogen bonds involving the bromide ion. Moreover, C-H⋯S inter-actions result in chains of mol-ecules along the c axis. The supra-molecular assembly is further stabilized by π-π stacking inter-actions between the benzimidazole system and 4-methyl-sulfanylphenyl rings [centroid-centroid distance = 3.477 (4) Å].

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7968/3051663/1ad1ae0560b3/e-67-0o341-fig1.jpg

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