Synthesis and structural characterization of copper(II) complexes with a tetradentate semicarbazone ligand derived from 2,5-hexadione

Four Cu(II) complexes [CuLH2O](ClO4)(2), 1; [CuLCl]Cl.H2O, 2; [CuLBr](2)(Cu3Br5), 3; and [CuLH2O](NO3)(2), 4; where L = tetradentate semicarbazone ligand, have been synthesized and characterized by elemental analysis, FT-IR and UV-Vis. The structures of compounds 1 and 3 have been determined by single-crystal X-ray diffraction analyses. In mononuclear 1, the semicarbazone, L acts as a tetradentate neutral ligand and a water molecule also coordinates to the Cu atom. There are two independent [CuL(H2O)](2+) cations and four perchlorate anions in the crystallographic asymmetric unit. One of the cations has a weak interaction between its Cu atom and a O atom of an adjacent perchlorate anion. The structure of 3 contains two independent [CuLBr](+) cations and a (Cu3Br5)(2-) anion. The coordination geometry around the cation's Cu(II) ion is five-coordinated square pyramidal, with L acting as a tetradentate neutral ligand and with a Br at the apical position. The Cu(3)Br52- anions link to one another to form an infinite one-dimensional (Cu(3)Br52-)(n) chain. Furthermore, the Hirshfeld surface analyses and the 2D fingerprint plot have been discussed.