Ziaulla Mohamed, Manjunatha M N, Sankolli Ravish, Nagasundara K R, Begum Noor Shahina
Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 12;67(Pt 2):o341-2. doi: 10.1107/S1600536811000146.
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].
在标题化合物C(14)H(13)N(2)S(+)·Br(-)的阳离子中，基本呈平面状的苯并咪唑体系（均方根偏差 = 0.0082 Å）被一个4-甲硫基苯基环取代。苯并咪唑体系与4-甲硫基苯基环之间的二面角为2.133 (2)°。晶体结构的特征是存在涉及溴离子的强且高度定向的分子间N-H⋯Br氢键。此外，C-H⋯S相互作用导致分子沿c轴形成链状。苯并咪唑体系与4-甲硫基苯基环之间的π-π堆积相互作用[质心-质心距离 = 3.477 (4) Å]进一步稳定了超分子组装体。
