噻吩和吡啶取代三芳基三唑的两个铜配合物的合成与晶体结构

分别以3-(2-吡啶基)-4-苯基-5-(2-噻吩基)-1,2,4-三氮唑(L1)和3-(2-吡啶基)-4-(4-氯苯基)-5-(2-噻吩基)-1,2,4-三氮唑(L²)作为配体,合成了2个新的单核铜配合物:trans-Cu(L1)2(Me OH)2](Cl O4)2(1)和trans-Cu(L2)2(Cl O4)2]·2Me CN(2),并对其进行了红外、元素分析、单晶结构和粉末X射线衍射表征。2个配合物都属于单斜晶系,P21/c空间群。单晶结构分析表明,配合物1和2中的铜离子均处于一个扭曲的八面体配位环境Cu N₄O₂],其中1的轴向由2个甲醇分子配位,而2的轴向由2个高氯酸根配位。处于赤道面的配体的吡啶N原子和三氮唑的一个N原子采用螯合双齿模式参与配位,而噻吩不配位。配合物2含2个乙腈客体分子,乙腈与三氮唑环之间存在π…π堆积作用。配合物1和2中存在O—H…O、C—H…O、C—H…N氢键和C—H…π相互作用,从而连接单核配合物形成三维网络。

Syntheses and Crystal Structures of Two Copper Complexes Based on Thienyl and Pyridyl Substituted Triaryltriazoles

Two new copper(Ⅱ)complexes,trans-Cu(L1)2(MeOH)2](ClO4)2(1)and trans-Cu(L2)2(ClO4)2]·2 MeCN(2)(L1=3-(2-pyridyl)-4-phenyl-5-(2-thienyl)-1,2,4-triazole,L2=3-(2-pyridyl)-4-(p-chlorophenyl)-5-(2-thienyl)-1,2,4-triazole),were synthesized and structurally characterized by FT-IR,elemental analyses,single-crystal X-ray crystallography and powder X-ray diffraction.Both 1 and 2 crystallize in monoclinic system with a space group P21/c.Xray crystallography analysis reveals that the copper ion in 1 and 2 sits in a distorted octahedral environmentCuN4 O2]with two MeOH in the trans-position in 1 but two ClO4-in the trans-position in 2.Each L ligand in the equatorial plane adopts a chelating bidentate mode through the pyridyl N atom and one triazole N atom,while the thienyl group does not coordinate.2 contains two MeCN guest molecules which produceπ-πstacking interactions with the triazole ring.In 1 and 2 there are some intermolecular O—H…O,C—H…O and C—H…N hydrogen bonds and C—H…πinteractions,linking the mononuclear complexes to form a 3 D framework.CCDC:2423470,1;2423471,2.