Synthesis, molecular structure and computational study of (Z)-2-((E)-4-nitrobenzylidene)hydrazone)-1,2-diphenylethan-1-one

Abstract

A new benzilmonohydrazone, (2)-2-((E)-4-nitrobenzylidene)hydrazone)-1,2-diphenylethan-l-one (BMH) has been synthesized for the first time. It was characterized by UV-vis, FT-IR, FT-Raman, H-1/C-13 NMR and mass spectrometry techniques. Molecular structure of the title compound was determined by single crystal X-ray diffraction study. In addition, molecular structure of BMH was determined by single crystal X-ray diffraction technique and found that the compound crystallizes in triclinic, space group P-1. Furthermore, chemical calculations employing density functional theory (DFT) method were performed to study the structural and spectroscopic properties of BMH, and the results were compared with the experimental findings.