Synthesis and Crystal Structure of a New 3D-Supramolecular Complex: [Cu(C12H8N2)2Cl][C6H4N3SO3]·H2O

Abstract

A novel complex [Cu(C₁₂H₈N₂)₂Cl][C₆H₄N₃SO₃]·H₂O was synthesized and characterized by IR spectra, elemental analysis and single-crystal X-ray. The crystal structure analysis shows that the Cu(II) is a five-coordinated in a trigonal dipyramidal environment, then complex packs in 3D-superamolecular network through intermolecular hydrogen bonds and π-π staking. The crystal is triclinic, space group P-1 with unit cell parameters: a = 10.318(2) Å, b = 11.759(2) Å, c = 12.960(3) Å, α = 67.90(3)º, β = 73.12(3)º, γ = 85.04(2)º, V = 1393.7(6) Å3, Z = 2, Mr = 675.60, Dc = 1.610 Mg/cm³, μ = 1.007 mm^-1, F(000) = 690, T = 293(2)K, R = 0.0456, wR = 0.0953 for 5467 reflections with I > 2σ(I).