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有机化学
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有机化学 ›› 2005, Vol. 25 ›› Issue (03): 290-294. 上一篇    下一篇

研究论文

2,5-二乙氧甲酰氨基-1,3,4-噻二唑超分子化合物的合成和晶体结构

林奇，张有明，魏太保*，高黎明   

  1. (西北师范大学化学化工学院 甘肃省高分子材料重点实验室 兰州 730070)
  • 收稿日期:2004-04-14 修回日期:2004-09-21 发布日期:2005-02-28
  • 通讯作者: 魏太保

Synthesis and Crystal Structure of Supramolecular Compound 2,5-Bis-(ethoxycarbonylamino)-1,3,4-thiadiazole

LIN Qi,ZHANG You-Ming,WEI Tai-Bao*,GAO Li-Ming   

  1. (College of Chemistry and Chemical Engineering, Gansu Key Laboratory of Polymer Materials,
    Northwest Normal University, Lanzhou 730070)
  • Received:2004-04-14 Revised:2004-09-21 Published:2005-02-28
  • Contact: WEI Tai-Bao

PDF

1323

被引次数

105

报道了一种用1,6-二取代二硫脲在DMF中加热回流直接脱H2S关环合成2,5-二取代1,3,4-噻二唑类化合物的新方法, 并用此方法合成了2,5-二乙氧甲酰氨基-1,3,4-噻二唑. 用元素分析、核磁共振氢谱、红外光谱进行了表征, 用X射线单晶衍射法确定了其单晶结构. 晶体属单斜晶系, P21/c空间群, a＝1.0093(4) nm, b＝0.9035(4) nm, c＝1.2924(6) nm, β＝96.785(9)°, V＝1.1703(9) nm3, Z＝4, Dc＝1.477 g/cm3, F(000)＝544, μ＝0.287 mm－1. 该化合物通过分子间氢键形成了一种二维网状结构的超分子, 由于分子间的作用力使其分子又沿c轴呈层状堆积.

关键词: 1,3,4-噻二唑, 合成, 晶体结构

A novel method for the synthesis 2,5-bis-substituted-1,3,4-thiadiazoles by direct cyclization of 1,6-bis-substituted dithiourea in refluxing DMF solution is presented. Supramolecular compound 2,5-bis- (ethoxycarbonylamino)-1,3,4-thiadiazole was synthesized via this method, and the structure was determined by elemental analysis, IR, 1H NMR and X-ray diffraction analysis. Crystal data: monoclinic, space group P21/c, a＝1.0093(4) nm，b＝0.9035(4) nm, c＝1.2924(6) nm, β＝96.785(9)°, V＝1.1703(9) nm3, Z＝4, Dc＝1.477 g/cm3, F(000)＝544, μ＝0.287 mm－1. The su-pramolecule with two-dimensional netlike structure is formed by intermolecular hydrogen bonding.

Key words: synthesis, 1,3,4-thiadiazole, crystal structure