Synthesis, crystal structure, exploration of the supramolecular assembly through Hirshfeld surface analysis and bactericidal activity of the cadmium organometallic complexes obtained from the heterocyclic ligand

Abstract

New complex compounds (I-III) were synthesized by successive reactions of sodium 1-(2-chlorophenyl)-1H-tetrazole-5-thiolate (NaL1) with cadmium chloride and dimethyl sulfoxide or o-phenanthroline. Successive reactions of sodium 1-(2-methoxyphenyl)-1H-tetrazole-5-thiolate (NaL2) with cadmium chloride and o-phenanthroline gave complexes (IV, V). The structure of the obtained compounds was studied by 1H, 13C NMR, UV–vis spectroscopy and elemental analysis. Moreover, the crystal structure of complexes (I-III/V) was determined by the single crystal X-ray diffraction analysis. The supramolecular assembly was explored through Hirshfeld surface analysis in terms of strong as well as comparatively weak non-covalent interactions. The crystal packing environment of the non-polymeric crystal structures (II/III/V) was further explored by finding the interaction energy between the molecular pairs and energy frameworks. The ligands and the complexes were screened for their bactericidal activity against Staphylococcus aureus and Escherichia coli.