Structural characterization of benzoate anion-supported supramolecular assemblages of Co(III) and Ni(II) cyclam compounds with catecholase-like and antibacterial activities

Abstract

Two mononuclear compounds, cis-[Co(cyclam)(Bz) sub(2)](Bz).H sub(2)O (1), and trans-[Ni(cyclam)(H sub(2)O) sub(2)](MOBA) sub(2).4H sub(2)O (2) (where Bz = benzoate and MOBA = o-methoxy benzoate) have been synthesized and characterized by elemental analyses, spectroscopy, X-ray diffraction, and thermogravimetric techniques. Compounds 1 and 2 crystallize in a monoclinic crystal system with P2 sub(1)/c and P2 sub(1)/n space groups, respectively. The carboxylate ligand in compound 1 enables the cyclam ligand to adopt a cis-V conformation, while in compound 2, cyclam adopts a stable trans-III conformation. Hirshfeld surface analyses were carried out to elucidate the intricate intermolecular forces shaping the crystal structure. The ability of compounds 1 and 2 to imitate the activities of the catechol oxidase enzyme was evaluated using 3,5-di-tert-butyl catechol (3,5-DTBC) as the model substrate. The antibacterial activity was investigated using the Gram-positive Staphylococcus aureus and Gram-negative Escherichia coli bacterial strains. Interestingly, compound 1 exhibited higher catecholase-like activity than compound 2 and enhanced antibacterial activity.