Research Information System
Inorganic Chemistry Communications, vol.182, 2025 (SCI-Expanded)
A new protonated nicotinohydrazone-based Schiff base [(H2L)+NO3−⋅H2O] (1) was synthesized and isolated as its nitrate salt monohydrate. The crystal structure comprises a cationic (E)-3-(2-(4-cyanobenzylidene)hydrazinecarbonyl)pyridin-1-ium species, a nitrate counter-ion, and one water molecule of crystallization in the asymmetric unit. A corresponding Co(II) complex, [Co(HL)2(H2O)4]⋅2Cl⋅4H2O (2), was also synthesized. Single-crystal X-ray diffraction (SCXRD) confirmed that both 1 and 2 crystallize in the monoclinic space group P21/c. The coordination geometry around Co(II) in complex 2 indicates a distorted octahedral arrangement consisting of two nitrogen and four oxygen donor atoms. Hirshfeld surface and enrichment ratio analyses revealed dominant hydrogen bonding and π-interactions that govern the supramolecular architecture. Density functional theory (DFT) calculations confirmed electronic charge transfer and the stability of Co(II) complex 2. The cytotoxic evaluation against Dalton's lymphoma (DL) cells and healthy peripheral blood mononuclear cells (PBMCs) demonstrated that the Co(II) complex 2 exhibited time-dependent cytotoxicity with minimal toxicity toward normal cells. Molecular docking further supported its selective binding affinity to immunoglobulin (IgG1). These findings underscore the potential of Co(II) complex 2 as a selective anti-cancer lead, warranting further validation using additional cell lines and experimental models.