2,5-二苯甲酰基-1,4-二碘苯的合成及其晶体结构

Synthesis and crystal structure of 2,5-dibenzoyl-1,4-diiodobenzene

以2,5-二苯甲酰基-1,4-苯二胺为原料,分别经过2次无水体系中的重氮化、碘代反应,合成得到2,5-二苯甲酰基-1,4-二碘苯.通过熔点测定、元素分析、磁共振(NMR)及X线单晶衍射对产物进行了表征及晶体结构分析.分析结果表明该晶体属于正交晶系,Pbca空间群,a=10.980(2)nm,b=15.866(3)nm,c=21.110(4)nm,Dx=1.944 g/cm3,Z=8,F(000)=2 032,μ=3.43 mm-1,最终偏差因子分别为R=0.062 4,wR=0.172 8.

The compound of 2,5-dibenzoyl-1,4-diiodobenzene was synthesized according to a twice procedure via non-aqueous diazotization and iodination using 2,5-dibenzoyl-1,4-phenylenediamine as starting material.The product structure was characterized by melting point,elemental analysis,nuclear magnetic resonance（NMR）,and X-ray single crystal diffractometer.The crystal belonged to orthorhombic,space group Pbca with a=10.980（2） nm,b=15.866（3） nm,c=21.110（4） nm,Dx= 1.944 g/cm3,Z= 8,F（000）=2 032,μ=3.43 mm-1,and the final deviation factor R=0.062 4,wR=0.172 8.