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Novel ligand, (E)-4-((4-(dimethylamino)benzylidene)amino)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, L and its nickel, copper, and zinc complexes were designed and physicochemically investigated using various spectroscopic studies. Ligand was additionally characterized by single-crystal X-ray crystallography. DFT and Hirschfeld surface analysis studies were also carried out. The well-characterized compounds were tested for their antimicrobial activities.
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A novel series of metal complexes of 3d elements of the type, [MLCl2] [M = Ni(II), Cu(II) & Zn(II), L = ligand] produced from an ampyrone-based ligand was discussed. A thorough investigation was carried out using elemental analyses, LC-MS, FT-IR, 1H- &13C NMR, and thermogravimetric analysis for the ligand and its complexes. The ligand was additionally characterized through single crystal X-ray crystallography, revealing a monoclinic system with the C2/c space group, featuring dimensions a = 17.8776(12)Å,b = 6.8982(6)Å,c = 29.862(2) Å, β = 101.170(5)°. Hirshfeld surface analysis was employed to unveil various intermolecular interactions in the ligand. Additionally, theoretical investigations were conducted to have a better understanding of the structures. Moreover, the antimicrobial efficacy of all investigated compounds was assessed.