Received 13 February 2013
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 ( = 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.
For properties of thiosemicarbazones and Cd complexes, see: Casas et al. (2000); Milczarska et al. (1998); Venkatraman et al. (2009); Dasary et al. (2011); Viñuelas-Zahínos et al. (2011); Arumugam et al. (2011). For a description of the geometry of complexes with five-coordinate metal atoms, see: Addison et al. (1984).
Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2002); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012); software used to prepare material for publication: SHELXL97.
Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BV2219 ).
The National Science Foundation is acknowledged for a CAREER award (CHE-1056927) to MAH. Purchase of the diffractometer was made possible by grant No. LEQSF (1999-2000)-ENH-TR-13, administered by the Louisiana Board of Regents.
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