| dc.description.abstract |
The title N-heterocyclic carbene derivative, C23H 30N5+·Br-·0.25H2O, was synthesized using microwave heating and was characterized by 1H and 13C NMR spectroscopy and a single-crystal X-ray diffraction study. The structure of the title compound are stabilized by a network of intra- and inter-molecular C - H⋯Br hydrogen-bonding inter-actions. The crystal structure is further stabilized by π-π stacking inter-actions between benzene and imidazole fragment rings of parallel benzo[d]imidazole rings, with a separation of 3.486 (3) Å between the centroids of the benzene and imidazole rings. There is also an inter-molecular C - H⋯π inter-action in the crystal structure. The C - N bond lengths for the central benzimidazole ring are shorter than the average single C - N bond, thus showing varying degrees of double-bond character and indicating partial electron delocalization within the C - N - C - N - C fragment. The isopropyl group is disordered over two sites with occupancies of 0.792 (10) and 0.208 (10). © 2009. |
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