2-Trifluoromethyl-1H-benzimidazol-3-ium tetrafluoroborate–2-trifluoromethyl-1H-benzimidazole–water (1/1/1)
نویسنده
چکیده
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-trifluoro-methyl-benzimidazole mol-ecules, each of which is protonated on a 50% basis, one tetra-fluoro-borate anion and a water mol-ecule. The two 2-trifluoromethylbenzimidazole mol-ecules thus exist as half-neutral half-cation entities. They are linked by N-H⋯N hydrogen bonds involving the half-occupancy hydrogens in each mol-ecule. The F atoms of one of the trifluoro-methyl groups are disordered over two sets of sites [in a 0.518 (14):0.482 (14) ratio], as are the F atoms of the tetra-fluoroborate anion [0.507 (14):0.493 (14) ratio]. The water mol-ecule is linked to one of the 2-trifluoro-methyl-benzimidazole mol-ecules via an N-H⋯O hydrogen bond.
منابع مشابه
2-Trifluoromethyl-1H-benzimidazol-3-ium hydrogen sulfate
In the crystal of the title mol-ecular salt, C(8)H(6)F(3)N(2) (+)·HSO(4) (-), cation-to-anion N-H⋯O hydrogen bonds generate [100] chains. Anion-to-anion O-H⋯O hydrogen bonds generate [001] helices and cross-link the chains into a three-dimensional network.
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In the title compound, (C(8)H(6)F(3)N(2))(2)[HgCl(4)]·2H(2)O, the Hg(II) cation is coordinated by four Cl(-) anions in a distorted tetra-hedral geometry. In the crystal, the 2-trifluoro-methyl-1H-benzimidazolium cations link to the [HgCl(4)](2-) complex anions and lattice water mol-ecules via N-H⋯Cl and N-H⋯O hydrogen bonds, and the lattice water mol-ecules further link to the Hg complex anion ...
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In the title salt, C(8)H(6)F(3)N(2) (+)·ClO(4) (-), the atoms of the benzimidazole ring (including H atoms) are nearly coplanar (r.m.s. deviation of the fitted atoms = 0.0122 Å) and the triflouromethyl group lies out of this plane. The perchlorate anion adopts a distorted tetra-hedral conformation with the Cl-O bond distances ranging from 1.412 (3) to 1.439 (2) Å. The benzimidazolium cations ar...
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The asymmetric unit of the title compound, C(8)H(6)F(3)N(2) (+)·0.5C(10)H(6)O(6)S(2) (2-), consists of one 2-trifluoro-methyl-1H-benz-imidazol-3-ium cation and a half naphthalene-1,5-disulfate anion, which are linked by an N-H⋯O hydrogen bond. The anion sits across a centre of symmetry. The atoms of the benzimidazole ring are nearly coplanar (r.m.s. deviation of the fitted atoms = 0.0085 Å) and...
متن کامل2-Trifluoromethyl-1H-benzimidazol-3-ium nitrate
Ihe title salt, C(8)H(6)F(3)N(2) (+)·NO(3) (-), the F atoms of the triflouromethyl group are disordered over two sets of sites in a 0.58 (2):0.42 (2) ratio. In the crystal, N-H⋯O hydrogen bonds link the cations and anions into chains running parallel to the b axis. There is π-π stacking between symmetry-related benzene rings with a centroid-centroid distance of 3.949 (3) Å. The crystal studied ...
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عنوان ژورنال:
دوره 68 شماره
صفحات -
تاریخ انتشار 2012