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The title compound, [Cu(phen)2(SO4)(H2O)]·0.5C4H4O4·7H2O (phen = 1,10-phe-nan throline and C4H4O4 = fumaric acid), has been synthesized and characterized by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1 with a = 11.4827(2), b = 11.9086(2), c = 13.77350(10) ?, α = 80.6830(10), β = 66.6480(10), γ = 64.0480(10)o, V = 1554.63(4) ?3, Mr = 722.17, Z = 2, Dc = 1.543 g/cm3, μ = 0.845 mm-1, F(000) = 750, R = 0.0349 and wR = 0.0837 for 4754 observed reflections (I > 2σ(I)). The compound contains a six-coordinated copper(II) center, which is surround by four N atoms of two phen ligands (Cu–N distances in the range of 1.997(2)～2.225(2) ), one sulfate O atom (Cu–O = 2.0037(17) ) and one water O atom (Cu–O(5w) = 2.719(2) ?) in a distorted octahedral geometry. Extensive hydrogen-bonding interactions are involved in water molecules, ligated sulfate anions and fumaric acid molecules. In addition, π-π interactions via aromatic nitrogen-containing ligands are also discussed. The combination of non-covalent interactions leads to the formation of a 3-D network structure.
The title compound, [Cu (phen) 2 (SO4) (H2O)] 0.5C4H4O4.7H2O (phen = 1, 10-phe- nan throline and C4H4O4 = fumaric acid), has been synthesized and characterized by single-crystal X -ray diffraction. The crystal is of triclinic, space group P1 with a = 11.4827 (2), b = 11.9086 (2), c = 13.77350 (10)?,? = 80.6830 (10),? = 66.6480 γ = 64.0480 (10) o, V = 1554.63 (4)? 3, Mr = 722.17, Z = 2, Dc = 1.543 g / cm3, μ = 0.845 mm-1, F The compound contains a six-coordinated copper (II) center, which is surrounded by four N atoms of two phen ligands (Cu-N distances in the range of 1.997 One sulfate O atom (Cu-O = 2.0037 (17)) and one water O atom (Cu-O (5w) = 2.719 (2)?) In a distorted octahedral geometry. hydrogen-bonding interactions are involved in water molecules, ligated sulfate anions and fumaric acid molecules. In addition, π-π interactions via aromatic nitrogen-containing ligands The combination of non-covalent interactions leads to the formation of a 3-D network structure.