2-[(2E)-2-(3-chloro-2-fluorobenzylidene)hydrazinyl]pyridine: Synthesis, spectroscopic, structural properties, biological activity and theoretical analysis

Abstract

The newly synthesized hydrazone derivative: 2 [(2E)-2-(3-chloro-2-fluorobenzylidene)hydrazinyl] pyridine was synthesized. The characterization of the title compound was carried out by elemental analysis, FT-IR, H-1 NMR, C-13 NMR and UV-VIS measurements. The crystal structure was determined by the single crystal X-ray diffraction (XRD) method. In addition, the title compound was also subjected to its possible antioxidant activity with free radical scavenging ability of 2,2-diphenyl-1-picrylhydrazyl (DPPH) radicals using 3,5-di-tert-butyl-4-hydroxy-toluene (BHT) as standard antioxidant. The theoratical structural calculations were carried out by the density functional theory using the B3LYP method with 6-311++G(2d,2p) basis set. The theoretical and experimental results obtained were examined and compared.