VITAMIN-B-1 - CHEMICAL INTERACTION WITH CDCL2 AND IN-VIVO EFFECTS ON CADMIUM TOXICITY IN RATS - CRYSTAL-STRUCTURE OF [CD(THIAMINE)CL-3](2)CENTER-DOT-2H2O, A COMPLEX CONTAINING PYRIMIDINE AND CADMIUM-HYDROXYETHYL BONDS

The title compound was prepared by mixing thiamine chloride hydrochloride, KOH and CdCl2 . H2O in water in various mole ratios. Its crystal structure was solved by X-ray diffraction (crystal data: monoclinic, space group P2(1)/c, a = 6.999(2) Angstrom, b = 12.811(3) Angstrom, c = 20.587(4) Angstrom, beta = 91.88(2)degrees, V = 1844(1) Angstrom(3), and Z = 4). The compound is a centrosymmetric dimer with two N(1'), O(5 gamma)-bond thiamines bridging between the two cadmium atoms. The metal coordination numbers are made up to five by three chloro ligands each. The thiamine ligand is in the F conformation, with Phi(T) = 11.0(9) and Phi(P) = 98.3(8)degrees. These structural characteristics and the spectral behavior of the compound (IR, C-13, N-15 and Cd-113 NMR, and CP MAS C-13 NMR) are compared with those of previously studied cadmium(II)/vitamin B-1 compounds. The effect of thiamine on the survival rate among male Sprague rats injected intraperitoneally with 5 mg of CdCl2 . H2O/kg and on the Cd burden in some of their organs is also reported.