Wang Bo
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 1;65(Pt 8):m853. doi: 10.1107/S1600536809024337.
The title compound, [CoCl(2)(C(6)H(5)N(5))(H(2)O)(3)]·H(2)O, was synthesized by hydro-thermal reaction of CoCl(2) with 4-(2H-tetra-zol-5-yl)pyridine. The Co(II) cation is coordinated by two Cl(-) ions, one N atom from the 5-(4-pyridinio)tetra-zolate zwitterion and three O atoms from three water mol-ecules in a distorted octa-hedral geometry. In the crystal, mol-ecules are linked into a three-dimensional network by N-H⋯Cl hydrogen bonds and O-H⋯O/N/Cl hydrogen bonds involv-ing both coordinated and uncoordinated water mol-ecules. Strong π-π stacking is present between parallel pyridinium and tetra-zolate rings [centroid-centroid distances = 3.411 (2) and 3.436 (2) Å].
标题化合物[CoCl₂(C₆H₅N₅)(H₂O)₃]·H₂O是通过CoCl₂与4-(2H-四唑-5-基)吡啶的水热反应合成的。Co(II)阳离子由两个Cl⁻离子、来自5-(4-吡啶基)四唑两性离子的一个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。在晶体中，分子通过N-H⋯Cl氢键以及涉及配位和未配位水分子的O-H⋯O/N/Cl氢键连接成三维网络。平行的吡啶鎓环和四唑环之间存在强烈的π-π堆积作用[质心-质心距离 = 3.411 (2) 和3.436 (2) Å]。
