SYNTHESIS AND STRUCTURE OF DIAQUADICHLOROBIS (9-[(2-HYDROXYETHOXY)METHYL]GUANINE) COPPER(II)

A compound with the title [Cu(C8H11N5O3)2(Cl)2(H2O)] has been prepared from an aqueous solution of CuCl2 and 9-[(2-hydroxyethoxy)methyl]guan ine, acyclovir. The crystal structure has been determined by x-ray dif fraction. The compound crystallizes in the monoclinic space group C2/c with a = 19.416(2), b = 10.086(1), c = 13.524(2) angstrom, beta = 111 .17(1)-degrees, V = 2469.67 angstrom3, Z = 4. Least-squares refinement of the structure based on 2775 observations led to an R factor of 0.0 38. The structure consists of distorted octahedral molecules with Cl l igands and H2O ligands in trans positions [Cu-Cl 2.883(1) and Cu-O(W) 1.983(2) angstrom]. The 9-[(2-hydroxyethoxy)methyl]guanine is trans li nked to Cu through N(7) [2.029(2) angstrom]. The side chain is partial ly folded. A short intramolecular hydrogen bond between O(6) and O(W1) [2.594 angstrom] significantly lowers the carbonyl stretching frequen cy [1715 to 1657 cm-1] in the FT-IR spectrum.