Synthesis and crystal structure of [Cu(phen)2(SO4)(H2O)]•0.5C4H4O4•7H2O

The title compound, [Cu(phen)(2)(SO4)(H2O)]center dot 0.5C(4)H(4)O(4)center dot 7H(2)O (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 P (1) over bar with a = 11.4827(2), b = 11.9086(2), c = 13.77350(10) angstrom, alpha = 80.6830(10), beta = 66.6480(10), gamma = 64.0480(10)degrees, V = 1554.63(4) angstrom(3) , M-r = 722.17, Z = 2, D-c = 1.543 g/cm(3), mu = 0.845 mm(-1), F(000) = 750, R = 0.0349 and wR = 0.0837 for 4754 observed reflections (1 > 2 sigma(l)). The compound contains a six-coordinated copper(H) center, which is surround by four N atoms of two phen ligands (Cu-N distances in the range of 1.997(2)similar to 2.225(2) angstrom), one sulfate O atom (Cu-O = 2.0037(17) angstrom) and one water O atom (Cu-O(5w) = 2.719(2) angstrom) in a distorted octahedral geometry. Extensive hydrogen-bonding interactions are involved in water molecules, ligated sulfate anions and fumaric acid molecules. In addition, pi-pi 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.