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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...

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Detalles Bibliográficos
Autores principales: Arslan, Hakan, VanDerveer, Don, Demir, Serpil, Özdemir, İsmail, Çetinkaya, Bekir
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
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
Descripción
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.