CRYSTAL AND MOLECULAR-STRUCTURE OF DI-MU-CHLOROBIS[2-((((2-HYDROXY-1-NAPHTHYL)METHYL)IMINO)-ETHANOLATO)N,O,O')DI-COPPER(II) HEMIHYDRATE

The structure of the title compound [Cu2Cl2(C13H12NO2)2] . 1/2 H2O has been determined from single crystal X-ray diffraction data by direct methods. Full-matrix least-squares refinement of the structural parameters led to conventional R factor of 0.037 for 4367 intensities above 3-sigma(I). The compound forms a dinuclear complex with distorted tetragonal-pyramidal geometry at each copper center. The unsymmetrical dimers are formed by weak axial coordination to one copper center by chloride ligands which are in the base plane of the adjacent copper atom. The apical Cu1-Cl2 and Cu2-Cl1 distances are 2.788(1) and 3.130(1) angstrom, respectively. The Cu1-Cu2 separation is 3.4995(3) angstrom in the dimers. A disorder of one five-membered chelate ring has been observed. Two alternative positions a and b of the C26 atom were found and refined with constrained bond lengths. The geometry of the ligand and hydrogen bonds is discussed.