A reinvestigation of the crystal structure of (4-aminobenzophenone)dichlorocuprate(II) hemiethanolate

The crystal structure of CuCl₂L·1/2 C₂H₅OH has been redetermined, where L=4-aminobenzophenone. C₁₄H₁₄Cl₂CuNO_1.5,M _r=354.5, monoclinic, P2₁/c,a=8.206(1),b=6.196(2),c=29.917 (7) Å, =92.91°,V=1521.8(6) ų,Z=4,D _x=1.55 g cm^–3, (MoK)=0.71069Å, =17.9 cm^–1,F(000)=720,T=295K. The 1984 unique reflections (20<45°), of which 1635 had |F_o|3 (F_o), refined to a finalR of 0.042 andwR=0.049 for the 3 data set. The structure is disordered at room temperature with the ethanol molecules, present at half-occupancy, coordinating to only one half of the Cu(II) ions. The structure is comprised of two types of chains which run parallel tob. One type of chain consists of stacks of CuCl₂L(C₂H₅OH) monomer units, which yield a 4+2 coordination geometry for each Cu atom in the chains. The second type of chains has stacks of binuclear Cu₂Cl₄N₂ species with a 4+1 coordination exhibited by each Cu. The location 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.