摘要:Reactions of a freshly prepared Cu(OH)2 · yH2 O precipitate,2 methyl benzoic acid with 1,10 phenanthroline in C2 H5 OH/H2 O (1∶1,V/V)afforded [Cu(phen)2 (C8 H7 O2 )]·(C8 H7 O2 )·4H2 O (1).The mononuclear copper complex was structurally characterized by single crystal X ray diffraction and IR spectrum. The title complex crystallizes in triclinic system,space group P 1 witha=10.878(2)Å,b=11.218(2)Å,c =16.178(2)Å,α=72.74(3)°,β=75.54(3)°,γ=78.72(3)°,V=1 809.8(6)Å3,C40H38N4O8Cu,Mr=766.28, Z =2,Dc =1.406 g·cm-3 ,F (000)=798,the finalR1=0.055 5,wR2=0.133 9.Within the complex,each Cu(Ⅱ) atom has a distorted octahedral geometry which was six coordinated by four N atoms and two O atoms.The supramo-lecular framework was self assembled via O H…O hydrogen bond interactions andπ πpacking interactions of aromatic rings.%新制备的Cu(OH)2·yH2O 加入到溶有2甲基苯甲酸、邻菲咯啉的C2H5OH/H2O (1∶1,V/V)混合溶剂中反应,得到一新的铜配合物[Cu(phen)2(C8 H7 O2)]·(C8 H7 O2)·4H2 O (1)晶体.化合物结构经单晶X 衍射及红外表征,结果表明配合物结晶于三斜晶系,P 1空间群,晶胞参数为:a=10.878(2)Å,b=11.218(2)Å,c=16.178(2)Å,α=72.74(3)°,β=75.54(3)°,γ=78.72(3)°,V =1809.8(6)Å3, C40H38N4O8Cu,Mr=766.28,Z =2,Dc =1.406 g·cm-3,F (000)=798,最后残余因子R1=0.0555, wR2=0.1339.晶体结构中的中心Cu(Ⅱ)原子六配位模式形成畸变的八面体结构,通过分子间O H…O氢键及芳环pp堆积作用构筑成超分子框架.