乙二胺缩3-醛基水杨酸Schiff碱铜单核及均双核配合物的晶体结构

Crystal Structure of Copper(Ⅱ) Mononuclear and Copper(Ⅱ) Binuclear Complexes of Schiff Base Ligand N,N′-(3-Carboxybenzylidene) Ethylenediamine

合成了乙二胺双缩3-醛基水杨酸Schiff碱铜单核配合物(H2CuES)及铜均双核配合物(Cu2ES)[H4ES为N,N′-二(3-醛基水杨酸)缩乙撑二胺],并用单晶X-ray衍射法测定了晶体结构,H2CuES属单斜晶系,空间群C2/c,晶胞参数a=2.277(5)nm,b=0.975(2)nm,c=0.743(15)nm,α=90°,β=99.05(3)°,γ=90°,V=1.629(6)nm3,C18H14CuN2O6,Mr=417.85,Z=4,Dc=1.703 Mg/m3,μ(MoKα)=1.382 mm-1,F(000)=852,R=0.0507,wR=0.126 4,(I>2σ(I)),2 278个可观察衍射点,1 279个独立衍射点.Cu2ES属单斜晶系,空间群Pn,晶胞参数a=1.167(2)nm,b=1.182(2)nm,c=1.399(3)nm,α=90°,β=113.25(3)°,γ=90°,V=1 773(6)nm3,C18H16Cu2N2O8,Mr=515.40,Z=16,Dc=1.931 Mg/m3,μ(MoK)α=2.454 mm-1,F(000)=1 040,R=0.050 7,wR=0.115 1,(I>2σ(I)),4 733个可观察衍射点,2 792个独立衍射点.

Copper （ Ⅱ ）mononuclear complex （H2CuES） and Copper （ Ⅱ ） binuclear complex （Cu2 ES）, where H4 （ES） denotes the binucleating ligand derived from the Schiff base N, N＇-bis（3-carboxybenzylidene）-ethylenediamine, were synthesized and its crystal structure was determined by single-crystal x-ray diffraction method. H2 CuES crystalizes in monoclinic , space group C2/c with c=2.277（5）nm,b=0.975（2）nm,c=0.743（15）nm,α=90°,β=99.05（3）°,γ=90°,V=1.629（6）nm^3,C18H14CuN2O6,M,=417.85,Z=4,Dc=1.703 Mg/m^3,μ（MoKα）=1.382mm^-1,F（000）=852,R=0.0507,ωR=0.1264,（Ⅰ〉2σ（Ⅰ）,2278 reflections collected with I〉2a（I）, 1 279 independent reflections. Cu2 ES crystalizes in monoclinic , space group Pn with a=1.167（2）nm,b=1.182（2）nm,c=1.399（3）nm,α=90°,β=113.25（3）°,γ=90°,V=1773（6）nm^3,C18H16Cu2N2O8,Mr=515.40,Z=16,Dc=1.931Mg/m^3,μ（MoKα）=2、454mm^-1,F（000）=1040,R=0.0507,σR=0.1151,（Ⅰ〉2σ（Ⅰ）,4733reflections collected with Ⅰ〉2σ（Ⅰ）,2 792 independent reflections.