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水合 -(2,2'-联吡啶 - κ²N,N')(2 - 甲基丙二酸根 - κ²O¹,O³)铜(II)二水合物

Aqua-(2,2'-bipyridine-κ²N,N')(2-methyl-malonato-κ²O¹,O³)copper(II) dihydrate.

作者信息

Manochitra P, Manikandan N, Murugavel S, Sreeshailam R, Sambasiva Rao P

机构信息

Department of Chemistry, Pondicherry University, Puducherry 605 014, India.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m884-5. doi: 10.1107/S1600536812024889. Epub 2012 Jun 13.

Abstract

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].

摘要

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。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/41b5/3393161/53ff9e4dbe9c/e-68-0m884-fig1.jpg

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