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

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，M_r=310.57，V=2.353 6(7) nm³，D_c=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)°，M_r=682.67，V=1.202 8(6) nm³，D_c=1.885 g·cm^-3，Z=2，μ=4.481 mm^-1，F(000)=670，R=0.045 0，wR=0.122 5。2依靠分子间C-H…π作用及卤素…卤素作用进一步联结成三维网状结构。

Schiff Base 2-[(2-Bromo-phenylimino)-methyl]-4-chloro-phenol and Its Copper(Ⅱ) Complex:Synthesis and Crystal Structure

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.