Crystal Structure and Properties of a Copper(Ⅱ) Complex Containing p-Toluenesulfonate and Imidazole Ligands

A novel supramolecular mixed ligand complex of formula Cu(PTS)2(Him)2(H2O)2] (C20H26CuN4O8S2,PTS=p-toluenesulfonate,Him=imidazole) has been synthesized in aqueous solution and characterized by elemental analysis,IR and single-crystal X-ray diffraction.The compound crystallizes in the monoclinic system,space group P21/n,Z=2,a=5.650(2),b=14.671(3),c=14.638(3),β=100.10(3)°,V=1194.60(4)3,Dc=1.607 g/cm3,μ(MoKα)=1.143 mm-1,F(000)=598,R=0.0615 and wR=0.1503 for 1752 observed reflections with I 2σ(I).The copper(II) ion in the complex adopts a slightly distorted octahedral coordination geometry and is six-coordinated with N2O4 donor set consisting of two nitrogen atoms and four oxygen atoms provided by the ligands of two imidazole molecules,two water molecules and two p-toluenesulfonate ions.The sulfonate group of the PTS ligand remains weak-coordinated and forms a number of hydrogen bonds with water molecules and imidazole ligands.X-ray structural analysis reveals that the coordination molecules are connected to form a 3-D supramolecular framework by electrostatic interaction,weak van der Waals forces,hydrogen bonding and π-π interaction.The thermal behaviour of the title complex was investigated by using DSC and TG-DTG techniques.

Crystal Structure and Properties of a Copper(Ⅱ) Complex Containing p-Toluenesulfonate and Imidazole Ligands

A novel supramolecular mixed ligand complex of formula Cu(PTS)2(Him)2(H2O)2](C20H26CuN4O8S2, PTS = p-toluenesulfonate, Him = imidazole) has been synthesized in aqueous solution and characterized by elemental analysis, IR and single-crystal X-ray diffraction. The compound crystallizes in the monoclinic system, space group P21/n, Z = 2, a = 5.650(2), b =14.671(3), c = 14.638(3) (A),β = 100.10(3)°, V= 1194.60(4) (A)3, Dc = 1.607 g/cm3,μ(MoKα) = 1.143mm-1, F(000) = 598, R = 0.0615 and wR = 0.1503 for 1752 observed reflections with Ⅰ＞ 2σ(Ⅰ). The copper(Ⅱ) ion in the complex adopts a slightly distorted octahedral coordination geometry and is six-coordinated with N2O4 donor set consisting of two nitrogen atoms and four oxygen atoms provided by the ligands of two imidazole molecules, two water molecules and two p-toluenesulfonate ions. The sulfonate group of the PTS ligand remains weak-coordinated and forms a number of hydrogen bonds with water molecules and imidazole ligands. X-ray structural analysis reveals that the coordination molecules are connected to form a 3-D supramolecular framework by electrostatic interaction, weak van der Waals forces, hydrogen bonding and π-π interaction. The thermal behaviour of the title complex was investigated by using DSC and TG-DTG techniques.