摘要
以3,4-二氟苯腈和对羟基苯甲醚为原料,合成了4-(2’-氟-4’-氰基苯氧基)苯甲醚,产率73%,通过红外、核磁以及X-射线单晶衍射等分析手段鉴定了其化学结构。其晶体属于单斜晶系,空间群为P21/n.,a=1.253 4(3)nm,b=0.806 0(2)nm,c=1.236 4(3)nm,β=105.273(3)deg,Z=4,D c=1.341 g/cm3,F(000)=504。分子不共面,2个环面扭曲。晶体中存在分子内和分子间氢键。
4-（ 2＇ -fluoro-4 ＇ -cyanophenoxy） anisole （ FCPOA ） was synthesized from 3,4-difluorobenzonitrile and 4-hydroxyanisole, the yield is 73%. The chemical structure of FCPOA is characterized by IR,NMR and single crystal X-ray diffraction. The crystal of it belongs to monoclinic system, space group P21/n, with a is 1. 253 4 （3） nm, b is 0.806 0 （2） nm, c is 1. 236 4 （3） nm, β is 105. 273 （3） deg, Z is 4, Dc is 1. 341 g/cm^3. The results shows that the molecule of FCPOA is not coplanarity,the two rings are twisted and intra-and inter-molecule hydrogen bond occurs in crystal.
出处
《应用化工》
CAS
CSCD
2007年第3期273-276,共4页
Applied Chemical Industry
