1-(4-tert-Butylbenzyl)-3-(3,4,5-trimethoxybenzyl)benzimidazolium bromide monohydrate

Abstract

A novel N-heterocyclic carbene derivative, C28H33N2O3+·Br−·H2O, was synthesized and characterized by elemental analysis, 1H and 13C-NMR and IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by π...π stacking interactions (face–face separation 3.441 Å) and C—H...Br and O—H...Br interactions. Intra- and intermolecular C—H...O interactions are also present. The C—N bond lengths for the compound [1.329 (3), 1.325 (3), 1.389 (3) and 1.391 (3) Å] are all shorter than the average single C—N bond length of 1.48 Å, thus showing varying degrees of double-bond character.