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

Abstract

A novel N-heterocyclic carbene derivative, C(28)H(33)N(2)O(3) (+)·Br(-)·H(2)O, was synthesized and characterized by elemental analysis, (1)H and (13)C-NMR and IR spectroscopy and a single-crystal X-ray diffraction study. Ions of the title compound are linked by π⋯π stacking inter-actions (face-face separation 3.441 Å) and C-H⋯Br and O-H⋯Br inter-actions. Intra- and intermolecular C-H⋯O inter-actions 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.