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, 1H NMR, 13C 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.