Inorganic Chemistry, Vol.34, No.9, 2430-2437, 1995
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.
Keywords:NUCLEAR MAGNETIC-RESONANCE;METAL-ION INTERACTIONS;MOLECULAR-STRUCTURE;THIAMINE CATALYSIS;BASE;MERCURY(II);SPECTRA;NMR