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

Author(s): Hakan Arslan | Don VanDerveer | Serpil Demir | smail Özdemir | Bekir Çetinkaya

Journal: Acta Crystallographica Section E
ISSN 1600-5368

Volume: 65;
Issue: 1;
Start page: o208;
Date: 2009;
Original page

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.

Tango Jona
Tangokurs Rapperswil-Jona

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