A REINVESTIGATION OF THE CRYSTAL-STRUCTURE OF (4-AMINOBENZOPHENONE)DICHLOROCUPRATE(II) HEMIETHANOLATE

The crystal structure of CuCl(2)L . 1/2 C2H5OH has been redetermined, where L = 4-aminobenzophenone. C14H14Cl2CuNO1.5, M(r) = 354.5, monocli nic, P2(1)/c, a = 8.206(1), b = 6.196(2), c = 29.917 (7) Angstrom, bet a = 92.91 degrees, V = 1521.8(6) Angstrom(3), Z = 4, D-x = 1.55 g cm(- 3), lambda(MoK alpha) = 0.71069 Angstrom, mu = 17.9 cm(-1), F(000) = 7 20, T = 295K. The 1984 unique reflections (2 theta < 45 degrees), of w hich 1635 had \F-0\ greater than or equal to 3 sigma (F-0), refined to a final R of 0.042 and wR = 0.049 for the 3 sigma data set. The struc ture is disordered at room temperature with the ethanol molecules, pre sent at half-occupancy, coordinating to only one half of the Cu(lI) io ns. The structure is comprised of two types of chains which run parall el to b. One type of chain consists of stacks of CuCl(2)L(C2H5OH) mono mer units, which yield a 4 + 2 coordination geometry for each Cu atom in the chains. The second type of chains has stacks of binuclear Cu2Cl 4N2 species with a 4 + 1 coordination exhibited by each Cu. The locati on and orientation of the L ligands appear to be identical in the two stacks. Intermolecular hydrogen bonding between L ligands in adjacent stacks leave space for only one ethanol molecule per two ligands.