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2-(4-Methylsulfanylphenyl)-1H-benzimidazol-3-ium bromide
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-methylsulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methylsulfanylphenyl ring is 2.133 (2)°. The cry...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051663/ https://www.ncbi.nlm.nih.gov/pubmed/21523024 http://dx.doi.org/10.1107/S1600536811000146 |
Sumario: | 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-methylsulfanylphenyl ring. The dihedral angle between the benzimidazole system and the 4-methylsulfanylphenyl ring is 2.133 (2)°. The crystal structure is characterized by strong and highly directional intermolecular N—H⋯Br hydrogen bonds involving the bromide ion. Moreover, C—H⋯S interactions result in chains of molecules along the c axis. The supramolecular assembly is further stabilized by π–π stacking interactions between the benzimidazole system and 4-methylsulfanylphenyl rings [centroid–centroid distance = 3.477 (4) Å]. |
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