Crystal structure of [triaqua(salicylato)(nicotinamide)zinc(II)] salicylate.

vitamin leads to a loss of copper from the body, known as pellagra disease. The nicotinamide derivative, N,Ndiethylnicotinamide (DENA), is an important respiratory stimulant. A structure determination of the title compound was undertaken in order to determine the ligand properties of NA and salicylate ligands. The title compound was prepared from the reaction of Zn(2HO-C6H5COO)2·8(H2O) (1.46 g, 3.00 mmol) and NA (0.18 g, 1.50 mmol) in water (80 ml). The mixture was filtered and set aside for crystallization at ambient temperature for a few days. The results of an X-ray structure determination are given in Tables 1 – 4. The title compound contains a mononuclear Zn(II) complex in which there are three water molecules, one NA ligand and one salicylate ligand. The one salicylate moiety in the compound does not act as a ligand, but is incorporated into the crystal lattice by hydrogen bonds. Although the zinc atom has five coordination, close contact of the O5 atom [Zn...O5 = 2.687(6)Å] may cause the zinc atom to have six coordination. The five coordination around Zn(II) can be described as a distorted trigonal bipyramid or a distorted square pyramid. Further information can be obtained by estimating the structural index, τ,1 which represents the relative amount of 1241 ANALYTICAL SCIENCES OCTOBER 2001, VOL. 17 2001 © The Japan Society for Analytical Chemistry