Yin Xia, Fan Jun, Xin Jingling, Zheng Shengrun, Zhang Weiguang
School of Chemistry and Environment, South China Normal University, Guangzhou 510006, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Apr 1;68(Pt 4):m451-2. doi: 10.1107/S1600536812011269. Epub 2012 Mar 21.
The title compound, {[Co(3)(C(6)H(4)NO(2))(2)(C(8)H(3)NO(6))(2)(H(2)O)(2)]·4H(2)O}(n), exhibits a two-dimensional layer-like structure in which the Co(II) ions exhibit two kinds of coordination geometries. One nearly octa-hedral Co(II) ion with crystallographic inversion symmetry is coordinated to six carboxyl-ate O atoms from four bridging 5-nitro-isophthalate (NIPH) ligands and two isonicotinate (IN) anions, while the other type of Co(II) ion binds with one N atom and one carboxyl-ate O atom from two IN anions, two carboxyl-ate O atoms from two different NIPH anions and one ligated water mol-ecule, displaying a distorted square-pyramidal coordination geometry. Three adjacent Co(II) ions are bridged by six carboxyl-ate groups from four NIPH ligands and two IN anions to form a linear trinuclear secondary building unit (SBU). Every trinuclear SBU is linked to its nearest neighbours in the ab plane, resulting in a two-dimensional layer-like structure perpendicular to the c axis. Along the a-axis direction neighbouring mol-ecules are connected through carboxyl-ate and pyridyl units of the IN anions, along the b axis through carboxyl-ate groups of the NIPH ligands. The H atoms of one free water mol-ecule are disordered in the crystal in a 1:1 ratio. Typical O-H⋯O hydrogen bonds are observed in the lattice, which include the following contacts: (a) between coordinated water mol-ecules and carboxyl-ate O atoms of the NIPH anions, (b) between lattice water mol-ecules and carboxyl-ate O atoms of the NIPH anions, and (c) between coordinated and lattice water mol-ecules. These inter-molecular hydrogen bonds connect the two-dimensional layers to form a three-dimensional supra-molecular structure.
标题化合物{[Co(3)(C(6)H(4)NO(2))(2)(C(8)H(3)NO(6))(2)(H(2)O)(2)]·4H(2)O}(n)呈现出二维层状结构,其中Co(II)离子呈现出两种配位几何构型。一个具有晶体学反演对称性的近八面体Co(II)离子与来自四个桥连的5-硝基间苯二甲酸(NIPH)配体和两个异烟酸(IN)阴离子的六个羧酸根O原子配位,而另一种类型的Co(II)离子与来自两个IN阴离子的一个N原子和一个羧酸根O原子、来自两个不同NIPH阴离子的两个羧酸根O原子以及一个配位水分子结合,呈现出扭曲的四方锥配位几何构型。三个相邻的Co(II)离子由来自四个NIPH配体和两个IN阴离子的六个羧酸根基团桥连,形成一个线性三核二级结构单元(SBU)。每个三核SBU在ab平面上与其最近邻相连,形成一个垂直于c轴的二维层状结构。沿着a轴方向,相邻分子通过IN阴离子的羧酸根和吡啶基单元相连,沿着b轴通过NIPH配体的羧酸根基团相连。一个游离水分子的H原子在晶体中以1:1的比例无序排列。在晶格中观察到典型的O-H⋯O氢键,包括以下接触:(a)配位水分子与NIPH阴离子的羧酸根O原子之间;(b)晶格水分子与NIPH阴离子的羧酸根O原子之间;以及(c)配位水分子与晶格水分子之间。这些分子间氢键将二维层连接起来形成三维超分子结构。