3-氰基-4-对氟苯基-6-苯基-1,2-二氢吡啶-2-酮的无溶剂合成和晶体结构  

Synthesis and crystal structure of 3-carbonitrile-4-(4-fluorophenyl)-6-phenyl-1,2-dihydropyridine-2-oxo under solvent-free conditions

作　　者：刁晓菊[1] 殷珊[2] 季红楼[2] 荣良策[2] 

机构地区：[1]徐州医学院,江苏徐州221004 [2]徐州师范大学化学化工学院,江苏徐州221116

出　　处：《徐州师范大学学报（自然科学版）》2010年第2期61-63,66,共4页Journal of Xuzhou Normal University(Natural Science Edition)

基　　金：江苏省高校自然科学基金资助项目(08KJB150017)

摘　　要：标题化合物C18H11FN2O是由4-氟苯甲醛、苯乙酮和丙二睛在无溶剂条件下,70℃加热反应而得,结构通过单晶X射线衍射法确定,属单斜晶系,空间群P21/c,Mr=290.29,a=0.870 5(2)nm,b=0.794 08(18)nm,c=2.046 2(5)nm,V=1.402 9(6)nm3,Z=4,Dc=1.374 g.cm-3,μ(Mo Kα)=0.096 mm-1,F(000)=600,晶体结构用直接法解出,使用全矩阵最小二乘法对原子参数进行修正,最终的偏离因子R=0.062 4,Rw=0.137 3.The title compound （C18 H11 FN2O） has been synthesized by the reaction of 4-fluorobenzaldehyde, acetophenone and malononitrile catalyzed by NaOH under solvent-free conditions at 70 ℃. And its structure was determined by single-crystal X-ray diffraction. The crystal is Monoclinic, space group P21/c with Mr = 290. 29, a = 0.8705（2） nm, b=0.794 08（18） nm, c=2.046 2（5） nm, V=1.402 9（6） nm^3, Z=4, Do=1.374 g· cm^-3, μ（Mo Ko）=0. 096 mm^-1 , F（000）= 600. The structure was solved by direct method and refined by the method of full-matrix least squares to the final R=0. 062 4 and Rw =0. 137 3.

关 键 词：无溶剂 合成 晶体结构 3-氰基-4-对氟苯基-6-苯基-1 2-二氢吡啶-2-酮 

分 类 号：O626.32[理学—有机化学]