Crystal structure studies and antimicrobial activities of transition metal complexes of pyridine-2,6-dicarboxylic acid and imidazole containing water clusters

Two new copper(II) and chromium(III) complexes of tridentate 2,6-pyridine dicarboxylic acid (H 2 pydc) with imidazole (im), (Him)[Cu(Hpydc)(pydc)]∙H 2 pydc∙5H 2 O ( 1 ) and (Him)[Cr(pydc) 2 ]∙H 2 pydc∙5H 2 O ( 2 ), have been prepared and characterized by elemental analysis, TGA measurements, FT-IR and UV-vis spectroscopy, powder and single crystal X-ray crystallography. Crystal structure analyses reveal that both copper(II) and chromium(III) ions are in a distorted octahedral environment.

The optimized geometrical parameters were calculated using methods based on the density functional theory (DFT). These calculations agree closely with the X-ray structure. The antimicrobial activities of the ligand and the complexes were evaluated in vitro and compared with drugs in use.