一个由2,4-吡啶二甲酸和1,4-双(咪唑基-1-甲基)苯构筑的钴配位聚合物的水热合成和晶体结构

摘要

A metal-organic coordination polymer [Co(PDC)(bix)(H2O)]n (H2PDC=2,4-pyridinedicarboxyic acid,bix =1,4-bis (imidazol-1-ylmethyl)-benzene) 1 has been hydrothermally synthesized and structurally characterized by elemental analyses,TG,IR,UV and single-crystal X-ray diffraction.The complex crystallizes in monoclinic,space group C2/c with a=2.525 5(4),b=1.318 98(19),c=1.441 5(2) nm,β=118.656(2)°,V=4.213 5(11) nm3,C21H19CoN5O5,Mr=480.34,Dc=1.514 g·cm-3,μ(Mo Kα)=0.857 9 mm-1,F(000)=1976,Z=8,R=0.0305 and wR=0.0674.In the crystalstructure,the cobalt atom is six-coordinated with two carboxylate oxygen atoms from two different PDC ligands and two nitrogen atoms from two bix ligands,one nitrogen atom from PDC ligand and one coordinated water moleculore,showing a distorted octahedral geometry.Furthermore,it exhibits a 3D supramolecular network through hydrogen bonding interactions.CCDC:878877.%通过水热法合成了一个金属-有机配位聚合物[Co(PDC)(bix)(H2O)]n(H2PDC=2,4-吡啶二甲酸,bix=1,4-双(咪唑基-1-甲基)苯).并对其进行了元素分析、热重、红外光谱、紫外光谱和X-射线单晶衍射测定.该配合物属于单斜晶系,C2/c空间群.晶体学数据:a=2.525 5(4),b=1.318 98(19),c=1.4415(2) nm,β=1 18.656(2)°,V=4.213 5(11) nm3,C21H19CoN5O5,Mr=480.34,Dc=1.514 g·cm-3,μ(MoKα)=0.8579 mm-1,F(000)=1 976,Z=8,残差因子R=0.0305,wR=0.0674.在晶体结构中,钴原子为六配位与来自2个不同的PDC配体上的2个羧基氧原子和来自2个bix配体上的2个氮原子、来自PDC配体上的1个氮原子以及1个配位水分子配位,呈现畸变的八面体几何构型.而且该配合物通过氢键作用扩展成三维超分子网状结构.