Synthesis, crystal structure and Hirshfeld surface analysis of a copper(II) complex involving 3-methyl-benzoate and 2,2'-bi-pyridine ligands.

Abstract

3-Methyl-benzoic acid (3-mbH) and 2,2'-bi-pyridine (bipy) reacted with a cop-per(II) salt forming a new mixed ligand complex, aqua-(2,2'-bi-pyridine-κ2 N,N')bis-(3-methyl-benzoato)-κ2 O,O';κO-copper(II) 0.68-hydrate, [Cu(C8H7O2)2(C10H8N2)(H2O)]·0.68H2O or [Cu(3-mb)2(bipy)(H2O)]·0.68H2O. The coord-ination environment of CuII is a distorted octa-hedron. The metal atom is attached to two 3-mb moieties, which bind in monodentate and bidentate fashions. One of the 3-mb units is disordered. The coordination environment is completed by one bipy ligand and a water mol-ecule. A second water mol-ecule is outside the coordination sphere of the CuII atom and its occupancy refined to 0.68. The structure consists of chains along the b-axis direction formed by complex units joined via hydrogen bonds between the coordinated water mol-ecule and an O atom of a coordinated 3-mb unit. Hirshfeld surface analysis indicates that the most abundant contacts are H⋯H (56.8%), H⋯C/C⋯H (21.7%) and H⋯O/O⋯H (13.7%).