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3,3′-[1,2-Phenyl­enebis(methyl­ene)]bis­(1-propyl­benzimidazolium) dibromide hemihydrate

The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(−)·0.5H(2)O, contains one 3,3′-[1,2-phenyl­enebis(methyl­ene)]bis­(1-propyl­benzimidazolium) cation, two bromide anions and one half-mol­ecule of water. In the crystal, the whole 3,3′-[1,2-phen­yl­enebis(methyl­ene)]bis­(1-propyl­ben...

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Detalles Bibliográficos
Autores principales: Iqbal, Muhammad Adnan, Haque, Rosenani A., Fun, Hoong-Kun, Chia, Tze Shyang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3275219/
https://www.ncbi.nlm.nih.gov/pubmed/22347075
http://dx.doi.org/10.1107/S1600536812001596
Descripción
Sumario:The asymmetric unit of the title compound, C(28)H(32)N(4) (2+)·2Br(−)·0.5H(2)O, contains one 3,3′-[1,2-phenyl­enebis(methyl­ene)]bis­(1-propyl­benzimidazolium) cation, two bromide anions and one half-mol­ecule of water. In the crystal, the whole 3,3′-[1,2-phen­yl­enebis(methyl­ene)]bis­(1-propyl­benzimidazolium) cation and one of the bromide anions are each disordered over two positions with site-occupancy ratios of 0.751 (6):0.249 (6) and 0.680 (8):0.320 (8). For the major component of the disordered cation, the central benzene ring forms dihedral angles of 83.6 (5) and 88.2 (4)° with its adjacent imidazole rings, while these angles for the minor component are 89.2 (15) and 84.9 (13)°. In the crystal, the cations and anions are linked by C—H⋯Br hydrogen bonds into dimers and then stacked along the c axis. The crystal packing is further stabilized by C—H⋯π and π–π inter­actions [shortest centroid–centroid distance = 3.646 (4) Å].