Cargando…
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...
Autor principal: | |
---|---|
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 |
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. |
---|