Di-chlorido-{(E)- N, N-dimethyl-2-[phen-yl(pyridin-2-yl)methyl-idene]hydrazine-1-carbo-thio-amide}cadmium(II)

Abstract

The structure of the title compound, [CdCl₂(C₁₅H₁₆N₄S)], at 100 K has monoclinic (P2₁/c) symmetry. The compound has a layer structure and is a 1:1 complex of the organic ligand and cadmium chloride. The ligand, 3,3-dimethyl-1-[(E)-[phen-yl(pyridine-2-yl)methyl-idene]amino]-thio-urea (L, Bp44mT), is of inter-est with respect to anti-cancer activity, anti-viral properties and potential use in conditions of iron overload, from hemochromatosis or from multiple transfusions in hematological disorders such as sickle cell disease or beta thalassemia. This study is aimed at uncovering the basis of selectivity of the ligand as a chelator and for lead optimization. We also examine the ligand's potential use in treating heavy metal poisoning from cadmium, arsenic, lead or mercury, and for environmental remediation. The crystal structure exhibits no inter-molecular or intra-molecular hydrogen bonding with the supra-molecular features being driven by hydro-phobic, π-π and long-range dispersion forces.

Keywords: crystal structure; heavy metals; post-industrial pollution; riverways and food chain; thio­semicarbazone heterocycle ligands.

Figure 1

Labeled structure of the title compound. Atomic displacement parameters are set at the 30% probability level.

Figure 2

Packing scheme. (a) The packing is dominated by hydro­phobic inter­actions. The unit cell is shown. (b) The basic inter­action is shown in isolation within the unit cell.

Figure 3

The π–π inter­action component of the packing. (a) The basic π–π inter­action is shown within the unit cell. (b) Another view of the π–π inter­action.