Abstract
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.
Highlights
In the title hydrated symetrically substituted 1,3-bis(4-methylbenzyl)benzimidazolium salt, C23H23N2+BrH2O, the dihedral angles between the benzimidazole ring system
Both benzene rings lie to the same side of the benzimidazole ring system, giving the cation an overall U-shape
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
Summary
In the title hydrated symetrically substituted 1,3-bis(4-methylbenzyl)benzimidazolium salt, C23H23N2+BrH2O, the dihedral angles between the benzimidazole ring system The packing is consolidated by C—H Br hydrogen bonds and aromatic – stacking interactions [centroid–centroid distances = 3.5401 (17) and For general background to N-heterocyclic carbenes (NHCs), which have been frequently used as ligands in organometallic and coordination chemistry, see: Arduengo et al (1991); Akkoç & Gök (2013); Akkoç et al (2014); Berding et al.
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