乙酰二茂铁缩烟酰肼的合成及其晶体结构

Synthesis and Crystal Structure of Condensation Compound with Acetyl Ferrocene and Nicotinohydrazide

烟酸乙酯与肼反应得烟酰肼(2);2与乙酰二茂铁反应合成了一种新型的含二茂铁基Schiff碱——乙酰二茂铁缩烟酰肼(1),其结构经1H NMR,IR,元素分析和XRD表征。1属四方晶系,空间群I-4,晶胞参数a=21.746 6(18),b=21.746 6(18),c=7.007 5(12),V=3 314.0(7)3,Z=8,Dc=1.436 g·cm-3,R1=0.084 9,wR2=0.247 2。1通过分子内和分子间C-H┈N氢键使相邻的四个分子彼此连接形成环状结构。

A novel Schiff base including ferrocene（1） was synthesized by condensation reaction of acetyl ferrocene and nicotinohydrazide,which was obtained by reaction of ethyl nicotinate with hydrazine.The structure was characterized by 1 H NMR,IR,elemental analysis and XRD.1 belongs to tetragonal,space group I-4 with a =21.746 6（18） （A）,b =21.746 6（18） （A）,c =7.007 5 （12） （A）,V=3 314.0（7） （A）3,Z=8,Dc =1.436 g · cm-3,R1 =0.084 9,wR2 =0.247 2.Four adjacent molecules were linked by intramolecular and intermolecular C-H----N hydrogen bonds to form a ring.