Ye Qiu-Qi, Qi Jin-Li, Lin Jian-Li
Center of Applied Solid State Chemistry Research, Ningbo University, Ningbo, Zhejiang 315211, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):m1156-7. doi: 10.1107/S1600536812034216. Epub 2012 Aug 8.
The title compound, Zn(C(8)H(7)O(2))(C(10)H(8)N(2))(2)·C(8)H(8)O(2)·2H(2)O, is comprised of a Zn(2+) cation, two 2,2'-bipydine (bipy) ligands and one 3-methyl-benzoate anion (L(-)) together with one uncoordinating L(-) anion, one uncoordinating HL mol-ecule and two lattice water mol-ecules. The Zn(II) atom is coordinated by four N atoms of two bipy ligands and two O atoms from one L(-) ligand in a distorted octa-hedral geometry. Pairs of centrosymmetrically related complex mol-ecules form dimers via slipped π-stacking inter-actions between bipy ligands with an inter-planar distance of 3.470 (4) Å. The dimers are linked into supra-molecular chains along [111], via C-H⋯O hydrogen bonds. The uncoordinated L(-) anions, HL mol-ecules and water mol-ecules are connected with each other via O-H⋯O hydrogen bonds, forming chains between the metal complex chains and binding them together via C-H⋯O contacts. The resulting layers parallel to (010) are further assembled into a three-dimensional supra-molecular architecture through additional C-H⋯O inter-actions.
标题化合物Zn(C₈H₇O₂)(C₁₀H₈N₂)₂·C₈H₈O₂·2H₂O由一个Zn²⁺阳离子、两个2,2'-联吡啶（bipy）配体、一个3-甲基苯甲酸根阴离子（L⁻）以及一个未配位的L⁻阴离子、一个未配位的HL分子和两个晶格水分子组成。Zn(II)原子由两个bipy配体的四个N原子和一个L⁻配体的两个O原子以扭曲的八面体几何构型配位。中心对称相关的配合物分子对通过bipy配体之间的滑移π-堆积相互作用形成二聚体，面间距为3.470(4) Å。这些二聚体通过C-H⋯O氢键沿[111]方向连接成超分子链。未配位的L⁻阴离子、HL分子和水分子通过O-H⋯O氢键相互连接，在金属配合物链之间形成链，并通过C-H⋯O接触将它们结合在一起。与(010)平行的所得层通过额外的C-H⋯O相互作用进一步组装成三维超分子结构。
