Cui Li-Jing
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 May 23;65(Pt 6):m671. doi: 10.1107/S1600536809018649.
The title compound, K(C(6)H(4)N(5))(H(2)O)(2), was synthesized by hydro-thermal reaction of KOH with 4-(5-tetra-zolio)pyridine. The K atom has a distorted octa-hedral coordination environment and is coordinated by two axial N atoms from the organic ligand and by four water mol-ecules in the equatorial plane. The mol-ecules as a whole are located on crystallographic mirror planes; the K atom is also located on an inversion center. Both the water mol-ecules and the organic ligands act as bridges to link symmetrically the adjacent K atoms into polymeric chains parallel to the c axis. O-H⋯N hydrogen bonds involving the water O atoms and aromatic π-π inter-actions [centroid-centroid distance 3.80 (2) Å] between the pyridine and tetra-zole rings build up an infinite three-dimensional network.
标题化合物[K(C₆H₄N₅)(H₂O)₂]ₙ是通过KOH与4-(5-四唑基)吡啶的水热反应合成的。K原子具有扭曲的八面体配位环境，由来自有机配体的两个轴向N原子和赤道平面上的四个水分子配位。分子整体位于晶体学镜面；K原子也位于对称中心。水分子和有机配体都作为桥将相邻的K原子对称地连接成平行于c轴的聚合物链。涉及水分子O原子的O-H⋯N氢键以及吡啶环和四唑环之间的芳香π-π相互作用[质心-质心距离3.80 (2) Å]构建了一个无限的三维网络。
