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3,3′-[1,2-Phenyl­enebis(methyl­ene)]bis­(1-octylbenzimidazolium) dibromide monohydrate

In the title hydrated mol­ecular salt, C(38)H(52)N(4) (2+)·2Br(−)·H(2)O, the central benzene ring of the dication makes dihedral angles of 89.47 (13) and 72.69 (12)° with the pendant benzimidazol-3-ium rings. The conformations of the octyl side chains are completely different. In the crystal, the co...

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Detalles Bibliográficos
Autores principales: Haque, Rosenani A., Iqbal, Muhammad Adnan, Fun, Hoong-Kun, Arshad, Suhana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343909/
https://www.ncbi.nlm.nih.gov/pubmed/22589990
http://dx.doi.org/10.1107/S1600536812008331
Descripción
Sumario:In the title hydrated mol­ecular salt, C(38)H(52)N(4) (2+)·2Br(−)·H(2)O, the central benzene ring of the dication makes dihedral angles of 89.47 (13) and 72.69 (12)° with the pendant benzimidazol-3-ium rings. The conformations of the octyl side chains are completely different. In the crystal, the components are linked by O—H⋯Br, C—H⋯Br and C—H⋯O hydrogen bonds into a two-dimensional network lying parallel to the ac plane. Aromatic π–π stacking inter­actions are also observed [shortest centroid-to-centroid separation = 3.5047 (16) Å].