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

Document Type

Article

Publication Date

12-1-2008

Abstract

A novel N-heterocyclic carbene derivative, C28H 33N2O3+·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 ??? 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.

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