The interaction of oxidovanadium(V) with INHOVA (the condensation product of isoniazid and o-vanillin) lead to the formation of the ester-like complex [VO(INHOVA)EtO(OH2)]Cl·H2O (1). Crystals suitable for X-ray diffraction methods were obtained. The complex crystallizes as a dimer in the space group P21/c of the monoclinic system. A detailed analysis, including solid-state vibrational spectroscopy and electronic spectroscopy in DMSO solution, was performed for both INHOVA and complex (1). A complete theoretical study based on DFT was also carried out. The calculations were of valuable assistance in the spectra assignments and interpretation. The electrochemical characterization allows determining the redox behavior of INHOVA and complex (1). Cytotoxicity was assayed against the chronic myelogenous leukemia K562 cell line. The IC50 values obtained denote that both the ligand and complex (1) are good candidates for further studies.Centro de Química Inorgánic
