Dai Jing, Chen Xin-Yuan
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. 2010 Dec 24;67(Pt 1):m111. doi: 10.1107/S1600536810052566.
In the title compound, [Na(2)(C(6)H(4)N(5)O)(2)(H(2)O)(8)], the Na(I) atom is in a distorted octahedral environment defined by six O atoms, one from the 5-(1-oxopyridin-4-yl)tetra-zolide anion and five from water mol-ecules. Two water mol-ecules act as bridging ligands, resulting in the formation of dimeric units organized around inversion centers. In the organic anion, the pyridine and tetra-zole rings are nearly coplanar, forming a dihedral angle of 4.62 (1)°. The dimeric units and organic anions are connected by O-H⋯O and O-H⋯N hydrogen bonds, leading to the formation of a three-dimensional network.
在标题化合物[Na₂(C₆H₄N₅O)₂(H₂O)₈]中，Na(I)原子处于由六个O原子定义的扭曲八面体环境中，其中一个O原子来自5-(1-氧代吡啶-4-基)四唑阴离子，另外五个来自水分子。两个水分子作为桥联配体，导致形成围绕反演中心排列的二聚体单元。在有机阴离子中，吡啶环和四唑环几乎共面，形成的二面角为4.62 (1)°。二聚体单元和有机阴离子通过O—H⋯O和O—H⋯N氢键相连，从而形成三维网络。
