Manochitra P, Manikandan N, Murugavel S, Sreeshailam R, Sambasiva Rao P
Department of Chemistry, Pondicherry University, Puducherry 605 014, India.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m884-5. doi: 10.1107/S1600536812024889. Epub 2012 Jun 13.
In the title compound, [Cu(C₄H₄O₄)(C₁₀H₈N₂)(H₂O)]·2H₂O, the Cu(II) ion displays a slightly distorted square-pyramidal coordination. The water mol-ecule at the apical position shows a long bond [Cu-O = 2.276 (2) Å]. The basal plane is formed by two N atoms of the 2,2'-bipyridine ligand and two carboxyl-ate O atoms from a malonate group. The five-membered chelate ring is almost planar [maximum deviation = -0.006 (2) Å], while the six-membered chelate ring defined by the malonate ligand adopts a distorted boat conformation. In the crystal, Cu(II) complex mol-ecules and lattice water mol-ecules are connected by O-H⋯O and C-H⋯O hydrogen bonds. The crystal packing is further stabilized by π-π inter-actions [centroid-centroid distances = 3.563 (2)-3.828 (2) Å].
在标题化合物[Cu(C₄H₄O₄)(C₁₀H₈N₂)(H₂O)]·2H₂O中，Cu(II)离子呈现出略微扭曲的四方锥配位结构。位于顶端位置的水分子具有较长的键长[Cu - O = 2.276 (2) Å]。底面由2,2'-联吡啶配体的两个N原子和来自丙二酸基团的两个羧酸根O原子构成。五元螯合环几乎呈平面状[最大偏差 = -0.006 (2) Å]，而由丙二酸配体定义的六元螯合环呈扭曲的船式构象。在晶体中，Cu(II)配合物分子和晶格水分子通过O - H⋯O和C - H⋯O氢键相连。晶体堆积通过π - π相互作用[质心 - 质心距离 = 3.563 (2) - 3.828 (2) Å]进一步得到稳定。
