Publication Date:
2014-12-14
Description:
In the title hydrated symetrically substituted 1,3-bis(4-methylbenzyl)benzimidazolium salt, C23H23N2+·Br−·H2O, 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.
Keywords:
crystal structure1,3-bis(4-methylbenzyl)-1H-3,1-benzimidazol-3-ium bromide monohydratebenzimidazolium saltsN-heterocyclic carbeneshydrogen bondsaromatic π–π stacking interactions
Electronic ISSN:
1600-5368
Topics:
Chemistry and Pharmacology
,
Geosciences
