Computational simulation and biological studies on 3-(2-(2-hydroxybenzoyl)hydrazono)-N-(pyridine-2-yl)butanamide complexes

A number of Cu(II), Co(II), Ni(II), Cd(II) and Hg complexes with 3-(2-(2-hydroxybenzoyl)hydrazono)-N-(pyridine-2-yl)butanamide were synthesized. The structures were elucidated by elemental and thermal analysis, as well as spectroscopic techniques (1H NMR, IR, UV-visible, MS) and physical measurements (magnetic susceptibility and molar conductance). The IR and 1H NMR data suggested that H2SHAH acted as a tridentate and/or tetradentate ligand. The electronic spectrum plus magnetic moments suggesting octahedral geometry of all isolated complexes except [Cu(HSHAH)Cl] complex has square planner structure. The kinetic and thermodynamic parameters of the Ni(II) and Cu(II) complexes were measured using the Coats-Redfern approach. The DFT used to confirm the geometry of the isolated compounds. Also, the association and formation constants of Ni(II), Co(II) and Cu(II) ions in mixed solvent at 298.15 K were intended by employing electrical conductance. The biological activity (antimicrobial, antioxidant & cytotoxic) were carried out on the prepared compounds. The Cd(II) complex has the most potent biological activity among all the other compounds.