Coordination Compounds of Bivalent Metals with (Z)-4-(2-Hydroxy-5-nitrophenyl)hydrazono-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one: Crystal and Molecular Structure of C16H13N5O4

Abstract

Five novel metal coordination compounds with (Z)-4-(2-hydroxy-5-nitrophenyl)hydrazono-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one (H₂L) have been prepared and isolated in crystalline state. Crystal and molecular structure of H₂L have been established by X-ray diffraction study. A molecule of the organic compound exists in crystal state as a nearly flat hydrazo tautomer stabilized by intramolecular hydrogen bonds. Metal coordination is tridentate chelate, which has been confirmed by IR, electronic, ¹H NMR, and EPR spectroscopy and DFT/B3LYP quantum chemical modeling. Coloristic and fungicidal properties of H₂L and its metal complexes have been studied.