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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) (+)·Br(−)·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 π⋯π stacking interactions (face–face...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968113/ https://www.ncbi.nlm.nih.gov/pubmed/21581662 http://dx.doi.org/10.1107/S1600536808043250 |
Sumario: | A novel N-heterocyclic carbene derivative, C(28)H(33)N(2)O(3) (+)·Br(−)·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 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. |
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