Bis[1-benzyl-2-(1,3-thiazol-4-yl)-1H-benzimidazole-κ2 N 2,N 3]dichloridocobalt(II)

In the title compound, [CoCl2(C17H13N3S)2], the CoII atom exhibits a distorted octahedral coordination geometry involving two chloride ligands, one of which is split over two positions [refined site-occupancy ratio = 0.847 (18):0.153 (18)], and four N-atom donors from two 1-benzyl-2-(1,3-thiazol-4-yl)-1H-benzimidazole ligands. The two chelate rings including the CoII atom are essentially planar, the maximum deviations from the mean planes being 0.080 (2) and 0.046 (2) Å; the dihedral angle between them is 74.1 (1)°. In both ligands, the thiazole and benzimidazole rings are nearly coplanar, as indicated by the dihedral angles between their planes of 1.16 (8) and 6.29 (7)°. Each pendant benzene ring is almost perpendicular to the benzimidazole molecule to which it is attached; the dihedral angles between their planes are 75.94 (9) and 75.55 (10)°. The crystal structure is stabilized by non-classical C—H⋯Cl hydrogen bonding forming a three-dimensional network.

In the title compound, [CoCl 2 (C 17 H 13 N 3 S) 2 ], the Co II atom exhibits a distorted octahedral coordination geometry involving two chloride ligands, one of which is split over two positions [refined site-occupancy ratio = 0.847 (18):0.153 (18)], and four N-atom donors from two 1-benzyl-2-(1,3-thiazol-4yl)-1H-benzimidazole ligands. The two chelate rings including the Co II atom are essentially planar, the maximum deviations from the mean planes being 0.080 (2) and 0.046 (2) Å ; the dihedral angle between them is 74.1 (1) . In both ligands, the thiazole and benzimidazole rings are nearly coplanar, as indicated by the dihedral angles between their planes of 1.16 (8) and 6.29 (7) . Each pendant benzene ring is almost perpendicular to the benzimidazole molecule to which it is attached; the dihedral angles between their planes are 75.94 (9) and 75.55 (10) . The crystal structure is stabilized by non-classical C-HÁ Á ÁCl hydrogen bonding forming a three-dimensional network.
The crystal structure of the title compound, show that the Co II ion adopts a distorted octahedral coordination arising from two bidentate ligands and a two Clanion of which one (Cl2) is splited over two positions (Cl2a and Cl2b) and four nitrogen donors from the ligands. Indeed, the refined occupancy rate of Cl2a and Cl2b sites shows that the first is occupied at 95 (2) % and the remainder in the second site respectively (Fig.1). The two heterocyclic ligands (S1N1C1C2C3) and (N2N3C4 to C10); (S2N4C18C1920) and (N5N6C21 TO C27) are nearly coplanar with dihedral angles between them of 1.16 (8) ° and 6.26 (9)° respectively. The dihedral angle between the both thiabendazole molecules surrounding the cobalt atom is of 74.1 (1)°. Each benzene ring (C12 to C17 and C29 to C34) is virtually perpendicular to the benzimidazole molecule (N2N3C5 to C10 and N5N6C21 to C27) to which it is fixed and the dihedral angle between them is 75.94 (9) for the first system and 75.55 (10) for the second.
The crystal strucrure is further stabilized by an intermolecular C-H···Cl no classic hydrogen bonds (Table 2).

Experimental
Thiabendazole (1.22 g, 6.02 mmol) was dissolved in 20 ml of ethanol, and CoCl 2 .6H 2 O (0.48 g, 3.02 mmol) dissolved in 1 ml of water were added. After 3 days of stirring at room temperature, a single-crystal precipitated and was separated by filtration and dried at 333 K for 24 h.

Refinement
The highest peak (

Figure 1
Molecular structure of the title compound with the atom-labelling scheme. Displacement ellipsoids are drawn at the 50% probability level. H atoms are represented as small circles.

Bis[1-benzyl-2-(1,3-thiazol-4-yl)-1H-benzimidazole-κ 2 N 2 ,N 3 ]dichloridocobalt(II)
Crystal data   (5) Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes. 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 > 2σ(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.