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2-Trifluoro­methyl-1H-benzimidazol-3-ium tetra­fluoro­borate–2-trifluoro­methyl-1H-benzimidazole–water (1/1/1)

The asymmetric unit of the title compound, C(8)H(6)F(3)N(2) (+)·BF(4) (−)·C(8)H(5)F(3)N(2)·H(2)O, consists of two 2-trifluoro­methyl­benzimidazole mol­ecules, each of which is protonated on a 50% basis, one tetra­fluoro­borate anion and a water mol­ecule. The two 2-trifluoromethylbenzimidazole mol­e...

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Detalles Bibliográficos
Autor principal: Liu, Ming-Liang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344031/
https://www.ncbi.nlm.nih.gov/pubmed/22589940
http://dx.doi.org/10.1107/S1600536812010847
Descripción
Sumario:The asymmetric unit of the title compound, C(8)H(6)F(3)N(2) (+)·BF(4) (−)·C(8)H(5)F(3)N(2)·H(2)O, consists of two 2-trifluoro­methyl­benzimidazole mol­ecules, each of which is protonated on a 50% basis, one tetra­fluoro­borate anion and a water mol­ecule. The two 2-trifluoromethylbenzimidazole mol­ecules thus exist as half-neutral half-cation entities. They are linked by N—H⋯N hydrogen bonds involving the half-occupancy hydrogens in each mol­ecule. The F atoms of one of the trifluoro­methyl groups are disordered over two sets of sites [in a 0.518 (14):0.482 (14) ratio], as are the F atoms of the tetra­fluoroborate anion [0.507 (14):0.493 (14) ratio]. The water mol­ecule is linked to one of the 2-trifluoro­methyl­benzimidazole mol­ecules via an N—H⋯O hydrogen bond.