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):m113. doi: 10.1107/S1600536810052992.
In the title compound, [Mg(H(2)O)(6)]Br(2)·2C(6)H(5)N(5), the Mg(II) atom, lying on an inversion center, is coordinated by six water mol-ecules in a distorted octa-hedral geometry. The pyridine and tetra-zole rings in the 5-(pyridinium-3-yl)tetra-zol-1-ide zwitterion are nearly coplanar, twisted from each other by a dihedral angle of 5.70 (1)°. The zwitterions, Br anions and complex cations are connected by O-H⋯Br, O-H⋯N and N-H⋯Br hydrogen bonds, leading to the formation of a three-dimensional network.
在标题化合物[Mg(H₂O)₆]Br₂·2C₆H₅N₅中，位于对称中心的Mg(II)原子由六个水分子以扭曲的八面体几何构型配位。5-(吡啶-3-基)四唑-1-鎓两性离子中的吡啶环和四唑环几乎共面，彼此间的二面角为5.70 (1)°。两性离子、Br⁻阴离子和络合阳离子通过O—H⋯Br、O—H⋯N和N—H⋯Br氢键相连，形成三维网络结构。
