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Crystal structure of 1,3-bis­(4-methyl­benz­yl)-1H-1,3-benzimidazol-3-ium bromide monohydrate

In the title hydrated symetrically substituted 1,3-bis­(4-methyl­benz­yl)benzimidazolium salt, C(23)H(23)N(2) (+)·Br(−)·H(2)O, the dihedral angles between the benzimidazole ring system (r.m.s. deviation = 0.003 Å) and the pendant benzene rings are 73.18 (16) and 77.52 (16)°. Both benzene rings lie t...

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Detalles Bibliográficos
Autores principales: Çelikesir, Sevim Türktekin, Çelik, Ömer, Akkoç, Senem, İlhan, İlhan Özer, Gök, Yetkin, Akkurt, Mehmet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4331869/
https://www.ncbi.nlm.nih.gov/pubmed/25705478
http://dx.doi.org/10.1107/S2056989014025857
Descripción
Sumario:In the title hydrated symetrically substituted 1,3-bis­(4-methyl­benz­yl)benzimidazolium salt, C(23)H(23)N(2) (+)·Br(−)·H(2)O, the dihedral angles between the benzimidazole ring system (r.m.s. deviation = 0.003 Å) and the pendant benzene rings are 73.18 (16) and 77.52 (16)°. Both benzene rings lie to the same side of the benzimidazole ring system, giving the cation an overall U-shape. In the crystal, the cation is linked to the water mol­ecule by a short C—H⋯O hydrogen bond and the water mol­ecule forms O—H⋯Br hydrogen bonds. Together, these inter­actions lead to [010] chains. The packing is consolidated by C—H⋯Br hydrogen bonds and aromatic π–π stacking inter­actions [centroid–centroid distances = 3.5401 (17) and 3.8815 (18) Å], generating a three-dimensional network.