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

A novel N-heterocyclic carbene derivative, C(28)H(33)N(2)O(3)(+)center dot-Br(-)center dot 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 pi center dot center dot center dot pi stacking interactions (face-face separation 3.441 angstrom) and C-H center dot center dot center dot Br and O-H center dot center dot center dot Br interactions. Intra- and intermolecular C-H center dot center dot center dot 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) angstrom] are all shorter than the average single C-N bond length of 1.48 angstrom, thus showing varying degrees of double-bond character.