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2-(4-Methylsulfanylphenyl)-1H-benzimidazol-3-ium bromide

Ziaulla, Mohamed and Manjunatha, MN and Sankolli, Ravish and Nagasundara, KR and Begum, Noor Shahina (2011) 2-(4-Methylsulfanylphenyl)-1H-benzimidazol-3-ium bromide. In: Acta Crystallographica Section E, 67 (Part 2). O341-U405.

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In the cation of the title compound, C14H13N2S+center dot Br-, the essentially planar benzimidazole system (r.m.s. deviation = 0.0082 angstrom) is substituted with a 4-methylsulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methylsulfanylphenyl ring is 2.133 (2)degrees. The crystal structure is characterized by strong and highly directional intermolecular N-H center dot center dot center dot Br hydrogen bonds involving the bromide ion. Moreover, C-H center dot center dot center dot S interactions result in chains of molecules along the c axis. The supramolecular assembly is further stabilized by pi-pi stacking interactions between the benzimidazole system and 4-methylsulfanylphenyl rings centroid-centroid distance = 3.477 (4) angstrom].

Item Type: Journal Article
Publication: Acta Crystallographica Section E
Publisher: International Union of Crystallography
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 14 Mar 2011 08:36
Last Modified: 09 Jan 2013 05:19
URI: http://eprints.iisc.ac.in/id/eprint/36058

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