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林产化学与工业

林产化学与工业 ›› 2009, Vol. 29 ›› Issue (1): 23-28.

• 研究报告 • 上一篇    下一篇

取代苯甲醛-3,4,5-三甲氧基苯甲酰腙的合成及晶体结构研究

王玉民1,2, 赵振东1, 毕良武1, 李冬梅1   

  1. 1. 中国林业科学研究院, 林产化学工业研究所, 生物质化学利用国家工程实验室;国家林业局, 林产化学工程重点开放性实验室, 江苏 南京, 210042;2. 泰山医学院, 化学与化学工程学院, 山东 泰安, 271016
  • 收稿日期:2008-10-08 修回日期:1900-01-01 出版日期:2009-02-28 发布日期:2009-02-28
  • 通讯作者: 赵振东,研究员,博士生导师,主要从事萜类天然产物利用化学等方面的研究工作;E-mail:zdzhao@publica1.ptt.js.cn。

Study on Synthesis and Crystalline Structure of Substituted Benzylidene-3,4,5-trimethoxybenzohydrazide

WANG Yu-min1,2, ZHAO Zhen-dong1, BI Liang-wu1, LI Dong-mei1   

  1. 1. Institute of Chemical Industry of Forest Products, CAF;National Engineering Lab.for Biomass Chemical Utilization;Key and Open Lab.on Forest Chemical Engineering, SFA, Nanjing 210042, China;2. School of Chemistry and Chemical Engineering, Taishan Medical University, Taian 271016, China
  • Received:2008-10-08 Revised:1900-01-01 Online:2009-02-28 Published:2009-02-28

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摘要： 合成了水杨醛-3,4,5-三甲氧基苯甲酰腙(1)、5-溴-水杨醛-3,4,5-三甲氧基苯甲酰腙(2)和4-氯苯甲醛-3,4,5-三甲氧基苯甲酰腙(3),通过FT-IR、1HNMR等进行了结构表征。用X射线单晶衍射测定了3个化合物的晶体结构。结果表明化合物1和2都属于斜方晶系,P2(1)/c空间群,化合物3属于三斜晶系,P-1空间群,晶体通过分子间氢键作用形成一维的无限链状结构。它们的晶体学参数分别为:1.a =1.5348(12)nm,b =1.3330(11)nm,c =0.8299(7)nm,α =90.00°,β =99.854(16)°,γ =90.00°,V =1.6730(2)nm3,Z =4,Dc =1.312g/cm3,F(000) =696,R =0.1016,wR =0.1936; 2.a =1.14157(19)nm,b =1.6279(3)nm,c =0.9738(16)nm,α =90.00°,β =100.210(16)°,γ =90.00°,V =1.7144(4)nm3,Z =4,Dc =1.586g/cm3,F(000) =832,R =0.0669,wR =0.0969; 3.a =0.5119(2) nm,b =0.8210(4)nm,c =2.0276(9)nm,α =101.055(7)°,β =92.362(7)°,γ =101.459(7)°,V =0.8169(7)nm3,Z =2,Dc =1.418g/cm3,F(000) =364,R =0.0516,wR =0.1276。

关键词: 水杨醛-3, 5-三甲氧基苯甲酰腙, 5-溴-水杨醛-3, 5-三甲氧基苯甲酰腙, 4-氯苯甲醛-3, 5-三甲氧基苯甲酰腙

Abstract: Three titled compounds namely (E)-N'-(2-hydroxybenzylidene)-3,4,5-trimethoxybenzohydrazide (1), (E)-N'- (5-bromo-2-hydroxybenzylidene)-3,4,5-trimethoxybenzohydrazide (2) and (E)-N'-(4-cholobenzylidene)-3,4,5- trimethoxybenzohydrazide (3) have been synthesized, and characterized by IR and 1HNMR.Their crystalline and molecular structures have been determined by single crystal X-ray diffraction. Both compounds 1 and 2 belong to monoclinic system, space group P2(1)/c, with a=1.5348(12)nm, b=1.3330(11)nm, c=0.8299(7)nm,α=90.00°,β=99.854(16)°,γ=90.00°, V=1.6730(2)nm3, Z=4, Dc=1.312g/cm3,F(000)=696,R=0.1016, wR=0.1936, for compound 1; a=1.14157(19)nm, b=1.6279(3)nm, c=0.9738(16)nm,α=90.00°, β=100.210(16)°,γ=90.00°,V=1.7144(4)nm3,Z=4, Dc=1.586g/cm3, F(000)=832,R=0.0669,wR=0.0969 for compound 2. Compound 3 belongs to triclinic system, space group P-1, with a=0.5119(2)nm, b=0.8210(4)nm, c=2.0276(9)nm, α=101.055(7)°,β=92.362(7)°,γ=101.459(7)°, V=0.8169(7)nm3,Z=2, Dc=1.418g/cm3,F(000)=364, R=0.0516, wR=0.1276. In the crystals there exist several intermolecular hydrogen bonds, through which one-dimensional infinite-chain structures were formed.

Key words: (E)-N'-(2-hydroxybenzylidene)-3, 5-trimethoxybenzohydrazide, (E)-N'-(5-bromo-2-hydroxy-benzylidene)-3, 5-trimethoxybenzohydrazide, (E)-N'-(4-cholobenzylidene)-3, 5-trimethoxybenzohydrazide

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