Dichlorido(ethanol-κO)[2-(1,3-thiazol-4-yl-κN)-1H-benzimidazole-κN 3]copper(II)

In the title complex, [CuCl2(C10H7N3S)(C2H5OH)], the CuII ion is five-coordinated in a distorted square-pyramidal geometry by two N atoms from a 2-(1,3-thiazol-4-yl)-1H-benzimidazole ligand, one O atom from an ethanol molecule and two Cl atoms. In the crystal, O—H⋯Cl and N—H⋯Cl hydrogen bonds link the complex molecules into a layer parallel to (100). π–π interactions between the thiazole rings are observed [centroid–centroid distance = 3.749 (3) Å].

In the title complex, [CuCl 2 (C 10 H 7 N 3 S)(C 2 H 5 OH)], the Cu II ion is five-coordinated in a distorted square-pyramidal geometry by two N atoms from a 2-(1,3-thiazol-4-yl)-1Hbenzimidazole ligand, one O atom from an ethanol molecule and two Cl atoms. In the crystal, O-HÁ Á ÁCl and N-HÁ Á ÁCl hydrogen bonds link the complex molecules into a layer parallel to (100).interactions between the thiazole rings are observed [centroid-centroid distance = 3.749 (3) Å ].

Experimental
Crystal data [CuCl 2 (C 10   Hydrogen-bond geometry (Å , ).  As we know, thiabendazole, 2-(4-thiazolyl)benzimidazole, is widely used as a kind of anthelmintic. However, the insolubility in water restrict its potential efficacy. Thiabendazole has three N and one S atoms, easy to coordinate with non-toxic metals (Devereux et al., 2007;Umadevi et al., 1995). These metal-organic compounds would be more water soluble, yet retain the biological activity of the base. As part of our studies of researching the properties and effects of metal complexes of thiabendazole, we have synthesized the title compound.
In the title complex ( Fig. 1), the Cu II ion is five-coordinated in a distorted square-pyramidal geometry by two N atoms from a 1H-2-(4-thiazol-2-yl)benzimidazole ligand, one O atom from an ethanol molecule and two Cl atoms (Table 1).

Experimental
The title compound was prepared by the reaction of thiabendazole (1.5 mol) with cupric chloride (1 mol) in ethanol, with stirring at 343 K for 5 h and then filtered. The filtrate was kept at room temperature and three days later X-ray quality blue block-shaped single crystals were obtained.

Refinement
H atoms were positioned geometrically and refined as riding atoms, with C-H = 0.93 (aromatic), 0.97 (methylene), 0.96 (methyl) and N-H = 0.86 Å and with U iso (H) = 1.2(1.5 for methyl)U eq (C, N). H atom of hydroxyl group was found from a difference Fourier map and refined as riding, with O-H = 0.82 Å and U iso (H) = 1.5U eq (O).  The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level.  The crystal packing diagram of the title compound.

Dichlorido(ethanol-κO)[2-(1,3-thiazol-4-yl-κN)-1H-benzimidazole-κN 3 ]copper(II)
Crystal data [CuCl 2 (C 10  Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )
x y z U iso */U eq