Spectral, modeling and anticancer activity studies on the newly synthesized N-allyl-2-(2,4-dinitrophenyl)hydrazine-1-carbothioamide and some bivalent metal complexes

Abstract

The newly synthesized ligand, N-allyl-2-(2,4-dinitrophenyl)hydrazine-1-carbothioamide, spectral structure elucidation showed that the hydrogen atom of N1H group was involved in H-bond formation with oxygen of nitro group. The reaction with acetate salt led to formation of 1:2 (M:L) complexes in case of Co(II), Ni(II) and Cd(II) while Cu(II) formed 1:1 complex. The complexes spectral data indicated that the ligand chelated in mononegative bidentate fashion via N1 and S donor atoms. All 1:2 complexes were octahedral while the Cu(II) complex was square planar as concluded from electronic and magnetic moment measurements. The DFT modeling of the ligand and complexes supported the proposed structures. The antioxidant and antitumor activity of isolated compounds were examined where the ligand and Cd(II) complex exhibited strong activities.