四氯合钴-苄基-2-硝基吡啶季铵盐的合成及其晶体结构

摘要

合成了1种含四氯合钴配阴离子的苄基取代吡啶季铵盐[BzNO2 Py]2 [CoC14] [(BzNO2Py)+为苄基-2-硝基吡啶鎓离子]；利用元素分析仪、红外光谱仪和X射线衍射仪表征了其组成和结构.结果表明,标题化合物为单斜晶系,空间群P2l/c,晶胞参数为a=0.7793(1) nm,b=1.849 3(2) nm,c=1.881 4(2) nm,β=97.56(1)°,V=2.688 0(5) nm3,Z=4,Dc=1.560 g/cm3,GOOF=1.036,R1=0.055 9,ωR2=0.151 5.标题化合物分子由1个四面体形的[CoCl4]2阴离子和2个[B2NO2 Py] -阳离子组成,[BzNO2 Py]+阳离子之间存在C- H…O氢键和p…π作用,而阳离子和阴离子通过C-H…Cl氢键相连；标题化合物分子经由这些弱的氢键而形成二维网状结构.%A new quaternary ammonium salt containing [CoCl42- anion, [BzNOzPy]2[CoCL4] ([BzNO2Py]+ is benzyl-2-nitropyridinium ion) was synthesized. The composition and structure of as-synthesized complex were characterized by elemental analysis, infrared spectrometry and single crystal X-ray diffraction. Results show that the title compound is in the monoclinic system of space group P21/c, with cell parameters of a = 0. 779 3(1) nm, 6=1. 849 3(2) nm, c = 1.881 4(2) nm, β = 97.56(1)° V = 2.688 0(5) nm3 ,Z = 4, Dc= 1.560 g/cm3, GOOF = 1.036, R1= 0.055 9, and wR2= 0. 151 5. The molecule of the title compound consists of one tetrahedral [CoClt]2- anion and two [BzNOzPy]+ cation. There are C-H···O hydrogen bond and p···π interaction between adjacent [BzNO2Py]+ cations, while the anions and cations are linked by the C- H···C1 hydrogen bonds. These weak interactions result in a network structure in the title compound molecule.