Acta Cryst. (2009). E65, o208-o209  [ doi:10.1107/S1600536808043250 ]

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

H. Arslan, D. VanDerveer, S. Demir, I. Özdemir and B. Çetinkaya

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 stacking interactions (face-face separation 3.441 Å) and C-HBr and O-HBr interactions. Intra- and intermolecular C-HO 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.

Online 24 December 2008

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