Zhang Li
Ordered Matter Science Research Center, College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 4;65(Pt 8):m871-2. doi: 10.1107/S1600536809025112.
The title compound, Zn(2)(C(6)H(4)N(5))(2)(H(2)O)(6)(2)·H(2)O, was synthesized by hydro-thermal reaction of ZnBr(2), CF(3)COOH and 2-(2H-tetra-zol-5-yl)pyridine. The Zn(II) cation is coordinated by one N atom from the 5-(2-pyrid-yl)tetra-zolate anion, two N atoms from another 5-(2-pyrid-yl)tetra-zolate anion and three O atoms from three water mol-ecules in a distorted octa-hedral geometry. The tetra-zole ligands bridge the metal ions of the dimeric structure, and the dimers are located on crystallographic inversion centers. An inter-stitial solvent water mol-ecule is located on a crystallographic mirror plane, and the CF(3)COO(-) counter-anions are also not coordinated to the metal complex. The F atoms of the anions are disordered with the F atoms statistically distributed over two positions in a 0.56 (3)/0.44 (3) ratio. All the water H atoms are involved in O-H⋯N and O-H⋯O hydrogen bonds with uncoordinated water O atoms, carboxyl-ate O atoms and tetra-zole N atoms. The inter-actions link the mol-ecules into a three-dimensional network.
标题化合物Zn₂(C₆H₄N₅)₂(H₂O)₆₂·H₂O是通过ZnBr₂、CF₃COOH与2-(2H-四唑-5-基)吡啶的水热反应合成的。Zn(II)阳离子由来自5-(2-吡啶基)四唑阴离子的一个N原子、来自另一个5-(2-吡啶基)四唑阴离子的两个N原子以及来自三个水分子的三个O原子以扭曲的八面体几何构型配位。四唑配体桥连二聚体结构的金属离子，二聚体位于晶体学反演中心上。一个间隙溶剂水分子位于晶体学镜面平面上，CF₃COO⁻抗衡阴离子也不与金属配合物配位。阴离子的F原子无序，F原子统计分布在两个位置上，比例为0.56 (3)/0.44 (3)。所有的水H原子都参与了与未配位的水O原子、羧酸根O原子和四唑N原子形成的O—H⋯N和O—H⋯O氢键。这些相互作用将分子连接成三维网络。
