STRUCTURE OF A COPPER COMPLEX CONTAINING SACCHARIN AND IMIDAZOLE - [CU2(C6H4COSO2N)4(C3H4N2)4]

Bis[mu-1,2-benzisothiazol-3(2H)-one 1,1-dioxido-kappa-N:kappa-O]bis[1,2-benzisothiazol-3(2H)-one 1,1-dioxido-kappa-N]tetrakis(imidazole)dicopper(II), [Cu2(C7H4NO3S)4(C3H4N2)4], M(r) = 1128.10, monoclinic, P2(1)/n, a = 11.084 (1), b = 11.481 (1), c = 17.078 (1) angstrom, beta = 95.391 (7)degrees, V = 2163.7 angstrom 3, Z = 2, D(x) = 1.73 g cm-3, lambda(Mo K-alpha) = 0.71069 angstrom, mu = 12.91 cm-1, F(000) = 1148, T = 294 K, final R = 0.049 for 3275 unique observations. The molecule is composed of two trigonal-bipyramidally coordinated Cu atoms with four saccharin groups and four imidazole groups. However, the four C6H4COSO2N groups are not structurally identical, two of them are each coordinated to only one Cu atom through the N atom, while the other two saccharin groups act as bidentate bridging ligands for the two Cu atoms, forming a Cu(II) dimer containing an eight-membered ring.