Iodido[5-methyl-1H-benzimidazole-2(3H)-thione-κS]bis(triphenylphosphane-κP)copper(I) methanol monosolvate

In the title compound, [CuI(C8H8N2S)(C18H15P)2]·CH3OH, the coordination environment around the CuI atom is distorted tetrahedral, defined by two P atoms of two triphenylphosphane ligands, one S atom of a 5-methyl-1H-benzimidazole-2(3H)-thione ligand and one I atom. The complex molecules and the methanol solvent molecules are connected via N—H⋯O and O—H⋯I hydrogen bonds, forming a chain along [010]. An intramolecular N—H⋯I hydrogen bond is also observed.

In the title compound, [CuI(C 8 H 8 N 2 S)(C 18 H 15 P) 2 ]ÁCH 3 OH, the coordination environment around the Cu I atom is distorted tetrahedral, defined by two P atoms of two triphenylphosphane ligands, one S atom of a 5-methyl-1Hbenzimidazole-2(3H)-thione ligand and one I atom. The complex molecules and the methanol solvent molecules are connected via N-HÁ Á ÁO and O-HÁ Á ÁI hydrogen bonds, forming a chain along [010]. An intramolecular N-HÁ Á ÁI hydrogen bond is also observed.

Experimental
Crystal data [CuI(C 8 Table 1 Hydrogen-bond geometry (Å , ). Various transition metal complexes with bridging phosphanes or functionalized phosphanes have drawn much attention in recent years for their special structures, novel reactivity performances, catalytic properties and luminescence (Baxter et al., 1994;Kitagawa et al., 1995;Lewis et al., 1996). The 2-mercapto-5-methylbenzimidazole (MMBI) ligand, with an -SH group and two potential coordination N atoms, is excellent in building supramolecular structures (Ozturk et al., 2009;Schneider et al., 2008). However, to our best knowledge, Cu(I) complexes with the MMBI ligand have not been reported.
In this paper, one Cu(I) complex with PPh 3 and MMBI is reported.

Experimental
A mixture of CuI (0.2 mmol) and 2-mercapto-5-methylbenzimidazole (0.2 mmol) in MeOH and CH 2 Cl 2 (10 ml, v/v = 1:1) was stirred for 2 h. PPh 3 (0.2 mmol) was added to the mixture, which was stirred for another 4 h. The insoluble residues were removed by filtration, and filtrate was evaporated slowly at room temperature for a week to yield colorless crystalline products.    The molecular structure of the title compound. Displacement ellipsoids are drawn at the 50% probability level. H atoms have been omitted for clarity.

Iodido[5-methyl-1H-benzimidazole-2(3H)-thione-κS]bis(triphenylphosphane-κP)copper(I)
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 > 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.