Synthesis and structure characterization of aqua-(μ2-carbonato-O,O′)-(2,2′-bipyridyl)-copper(II) dihydrate

Under hydrothermal conditions the reaction of cis-aconitic acid with Cu-2(OH)(2)CO3 and bipy (bipy = 2,2'-bipy) in H2O/DMF (3:2) afforded a neutral mononuclear compound [Cu-(bipy)(mu(2)-CO3)(H2O)].2H(2)O, which has been structurally characterized by single-crystal X-ray diffraction analysis. The crystal belongs to triclinic, space group P (1) over bar with a = 8.3950(5), b = 8.7974(5), c = 9.4496(3) Angstrom, alpha = 98.270(3), beta = 93.014(3), gamma = 100.068(3)degrees, V = 677.83(6) Angstrom(3), D-c = 1.635 g/cm(3), Z = 2, C11H14CuN2O6, M-r = 333.78, mu = 1.637 mm(-1), lambda(MoKalpha) = 0.71073 Angstrom, F(000) = 342, the final R = 0.0616 and wR = 0.1273 for 1621 observed reflections with I > 2sigma(I). The structure of the complex contains a distorted square pyramidal core with a bipy, a carbonate anion and a water molecule coordinating to a Cu-II atom. The dihedral angle between the two planes composed of N(1)N(2)Cu(1) and O(1)O(3)Cu(1) is 21.73(8)degrees. The intermolecular hydrogen bonds (O...O) are observed in the crystal structure.