Metal-organic hybrids based on [VO2(L)]- tecton with cations of imidazole and its derivative: Synthesis, single-crystal structures and molecular docking studies

New vanadium Schiff base complexes [VO2(L)]ImH 1 and [VO2(L)]m-ImH 2 (where L = (Z)-N'-(2-hydroxy-3-methoxybenzylidene)acetohydrazide, ImH = Imidazole and m-ImH = methylimidazole) were prepared. These were characterized using various techniques and structures were determined using single-crystal X-ray diffrac-tion analysis. In these complexes, the three-dimensional structures are assembled via the columbic interactions between [VO2(L)](-) anions and imidazolium ions supported through charge-assisted H-bonding between pro-tonated imidazolium NH and CH of L2-. Hirshfeld surface analysis was also performed to investigate the mode of non-covalent interactions. Electrochemical measurements were carried out to explore the redox properties of complexes using cyclic voltammetry and differential pulse voltammetry. Computational studies have been car-ried out to verify the molecular structures of the complexes. Global reactivity parameters were also derived. The molecular interactions in complexes with the alpha-amylase and alpha-glucosidase proteins with a co-crystallized ligand were investigated using in silico docking.