Chlorido[5-methoxy-1H-benzimidazole-2(3H)-thione-κS]bis(triphenylphosphane-κP)copper(I) methanol disolvate

In the title complex, [CuCl(C8H8N2OS)(C18H15P)2]·2CH3OH, the CuI ion is coordinated by one chloride anion, one S atom from the 5-methoxy-1H-benzimidazole-2(3H)-thione ligand and two P atoms from two triphenylphosphine ligands in a distorted tetrahedral geometry. One of the N-bound H atoms is involved in an intramolecular N—H⋯Cl hydrogen bond, while another one interacts with the solvent methanol molecule via an N—H⋯O hydrogen bond. Intermolecular O—H⋯Cl and O—H⋯O hydrogen bonds link two further complex molecules and four solvent molecules into a centrosymmetric structural unit. The short distance of 3.624 (4) Å between the centroids of the five- and the six-membered rings of two benzimidazole fragments indicates the presence of π–π interactions.

In the title complex, [CuCl(C 8 H 8 N 2 OS)(C 18 H 15 P) 2 ]Á2CH 3 OH, the Cu I ion is coordinated by one chloride anion, one S atom from the 5-methoxy-1H-benzimidazole-2(3H)-thione ligand and two P atoms from two triphenylphosphine ligands in a distorted tetrahedral geometry. One of the N-bound H atoms is involved in an intramolecular N-HÁ Á ÁCl hydrogen bond, while another one interacts with the solvent methanol molecule via an N-HÁ Á ÁO hydrogen bond. Intermolecular O-HÁ Á ÁCl and O-HÁ Á ÁO hydrogen bonds link two further complex molecules and four solvent molecules into a centrosymmetric structural unit. The short distance of 3.624 (4) Å between the centroids of the five-and the sixmembered rings of two benzimidazole fragments indicates the presence ofinteractions.
The author thanks Liaocheng University for the X-ray structure determination of the title complex.
Supporting information for this paper is available from the IUCr electronic archives (Reference: CV5442).

Figure 1
The molecular structure of the title compound showing the atomic numbering and 30% probability displacement ellipsoids. Solvent molecules and H atoms have been omitted for clarity.

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.