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

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 ?-? stacking inter-actions between the benzimidazole system and 4-methyl-sulfanylphenyl rings [centroid-centroid distance = 3.477?(4)?Å].

SUBMITTER: Ziaulla M 

PROVIDER: S-EPMC3051663 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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

Ziaulla Mohamed M   Manjunatha M N MN   Sankolli Ravish R   Nagasundara K R KR   Begum Noor Shahina NS  

Acta crystallographica. Section E, Structure reports online 20110112 Pt 2

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  ...[more]

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