Cargando…
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...
Autores principales: | , , , , , |
---|---|
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 |
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. |
---|