配合物[Mn(4-PTZ)_2(H_2O)_4]·2H_2O的合成和晶体结构

Synthesis and Crystal Structure of a Supramolecular Complex [Mn(4 - PTZ)_2 (H_2O)_4 ]·2H_2O

利用5-(4-吡啶基)四唑(4-PTZ)与氯化锰合成了一种新型的超分子配合物[Mn(4-PTZ)2(H2O)4].2H2O,通过X-射线单晶衍射技术对其进行了表征。结果分析表明:该配合物属三斜晶系,空间群为P-1,晶胞参数a=0.7315(4)nm,b=0.7859(5)nm,c=0.8682(5)nm,α=90.909(8)。,β=91.738(8)。γ=100.400(8)。,Z=1。配合物由1个Mn原子、2个4-PTZ、4个水分子和2个结晶水分子构成。Mn原子的配位数为六,并处于八面体的配位环境,分别与4个水分子的氧原子和来自2个4-PTZ上的N原子配位。通过各种氢键作用形成了二维网状结构,进而层与层之间的氢键和π-π堆积作用将该化合物扩展为三维空间结构。

The reaction of 5-（4-pyridyl） tetrazolate with MnCl2 led to a supramolecular compound[Mn（4 PTZ） 2（H2O） 4].2H2O.The crystal structure of title compound was characterized by X-ray diffraction technique.The crystal structurebe longs totriclinic system with space groupP-1,and a = 0.73208（14） nm,b = 0.78961（15） nm,c =0.88483（17） nm,α = 90.411（3）,β = 90.418（3）,γ = 99.705（3）,and Z = 1.The analysis of the crystal structure indicates that the title compound consists of one Mn atom,two 4-PTZ and four water molecules.The Mn atom has an octahedron coordination geometry and was six-coordinated with four oxygen atoms from four water molecules and two N atoms from two 4-PTZ ligands.The compound molecules were linked by different hydrogen bonds to form a 2D network,and then extended to a 3D structure by hydrogen bonds and π-π stack interactions.