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