Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 5 (May 2013)

metal-organic compounds

Acta Cryst. (2013). E69, m246-m247    [ doi:10.1107/S160053681300915X ]


R. Venkatraman, D. S. Samuel, Z. Arslan, M. A. Hossain and F. R. Fronczek

Abstract: In the title complex, [Cd(C12H11N4S2)I(C12H12N4S2)], the CdII ion is penta­coordinated by two thio­semicarbazone ligands (one neutral and the other anionic) and one iodide ion in a distorted square pyramidal ([tau] = 0.35) geometry. The central ion is coordinated by the thia­zole N atom, the thio­ureido N and the S atom of the deprotonated thio­semicarbazone ligand. The other ligand is linked with the central ion through the C=S group. The deprotonated ligand intra­molecularly hydrogen bonds to the thia­zole ring N atom, while the ligand forms an inter­molecular hydrogen bond to the thiol­ate S atom of the second ligand. The deprotonation of the tridentate ligand and its coordination to the CdII ion via the S atom strikingly affects the C-S bond lengths. The C-S bond lengths in the neutral and deprotonated ligands in the metal complex are 1.709 (3) and 1.748 (2) Å, respectively, whereas it is 1.671 (3) Å in the free ligand. In the metal complex, the Cd-S distances are 2.6449 (6) and 2.5510 (6) Å. The Cd-I bond length is 2.7860 (2) Å.

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