Single crystal X‐ray of 1‐[(1,2,4‐triazole‐4‐yl)imino]diacetyl monoxime (L) as a novel triazole and the characterization and biological studies of its chelates of Co2+, Pd2+, and Fe3+

Abstract

A novel and efficient synthesis of 1‐[(1,2,4‐triazole‐4‐yl)imino]diacetyl monoxime (L) is described. The advantages of this method are that it is inexpensive, the starting reactants are readily available, and it has good yield and short reaction times. The hull of the product was suggested by elemental analyses, spectral and single crystal X‐ray. Novel Co2+, Pd2+, and Fe3+ chelates derived from L were characterized by Fourier transform infrared spectroscopy, suggesting that L acts as bidentate via the two azomethine groups. Tetrahedral geometry for Fe3+ and Co2+ and square‐planar geometry around the Pd2+ chelate were suggested depending on the spectral and magnetic data. The results of density functional theory were applied to illustrate the geometry of L towards the metal ions. Coats–Redfern and Horowitz–Metzger methods were applied to investigate the kinetic and thermodynamic parameters of the chelates. Cyclic voltammetry was carried out to study the stability of the Co2+ and Fe3+ chelates. L and its complexes were tested against three types of cancer cells, antibacterial and antifungal.