2-(2-溴苯胺基)甲基-4-氯苯酚Schiff碱及其铜配合物的合成及晶体结构

摘要

A Cu(Ⅱ) complex (2) of 2-[(2-bromo-phenylimino)-methyl]-4-chloro-phenol (1) generated from 5-chlorosalicylaldehyde and o-bromoaniline was synthesized and characterized by elemental analysis and single crystal X-ray diffraction.Compound 1 is in the orthorhombic system,space group Pbca with a=0.710 19(12) nm,b=1.308 2(2)nm,c=2.533 3 (5) nm,Mr=310.57,V=2.353 6 (7) nm3,Dc=1.753 g·cm-3,F (000)=1 232,μ=3.700 mm-1,Z=8,R=0.025 0 and wR2=0.055 5.Compound 2 belongs to the monoclinic system,space group P21/c with a=0.956 8(2)nm,b=1.085 3(3) nm,c=1.204 7(3) nm,β=105.965(7)°,V＝1.202 8(6) nm3,Mr=682.67,Dc=1.885 g·cm-3,Z=2,μ=4.481 mm-1,F(000)=670,R=0.045 0 and wR2=O.122 5.Compound 1 is stabilized by intermolecular C-H…N and intra-molecular C-H … O hydrogen bonds,C-H…Cl and π…π interaction and further linked into a 2D layer structure.But compound 2 is connected by halogen…halogen and C-H…π hydrogen bond to form a 3D network.CCDC:803365,1; 803366,2.%以5-氯水杨醛和邻溴苯胺为原料合成了一种新的Schiff碱配体2-[(2-溴苯胺基)甲基]-4-氯苯酚(1)(C13H9BrClNO,H2L),继而与过渡金属铜离子配合,得到其配合物2([Cu(C13H8BrClNO)2],CuL2).通过X-射线衍射法对配体及其配合物进行了结构表征.化合物1属正交晶系,Pbca空间群,晶胞参数a＝0.710 19(12) nm,b=1.308 2(2) nm,c=2.533 3(5) nm,Mr=310.57,V=2.353 6(7) nm 3,Dc=1.753 g·cm-3,Z=8,μ=3.700 mm-1,Z=8,F(000)=1 232,R=0.025 0,wR＝0.055 5；化合物1依靠分子间的C-H…N,C-H…O,C-H…Cl氢键及π-π堆积作用进一步联结成二维网状结构.化合物2属单斜晶系,P21/c空间群,晶胞参数a=0.956 8(2) nm,b=1.085 3(3) nm,c=1.204 7(3) nm,β=105.965(7)°,Mr=682.67,V=1.202 8(6) nm 3,Dc=1.885 g·cm-3,Z=2,μ=4.481 mm-1,F(000)=670,R＝0.045 0,wR=0.1225.2依靠分子间C-H…π作用及卤索…卤素作用进一步联结成三维网状结构.