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化学学报
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化学学报 ›› 2002, Vol. 60 ›› Issue (6): 1017-1022. 上一篇    下一篇

研究论文

硫尿、L-酒石酸根和水为主体晶格的四乙基铵层状包合物的合成及晶体结构

石梅;张锦楠;李奇   

  1. 北京师范大学化学系.北京(100875);首都医科大学化学药理学系.北京 (100054)
  • 发布日期:2002-06-15

Synthesis and Crystal Structure of Layer Type Inclusion Compound of Thiourea with Tetraethylammonium Tartrate and Water

Shi Mei;Zhang Jinnan;Li Qi   

  1. Department of Chemistry, Beijing Normal University.Beijing(100875);Department of Chemistry and Pharmacology, Capital University of Medical Science.Beijing(100054)
  • Published:2002-06-15

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被引次数

16 | 3

合成了一种新的硫尿-阳离子主体晶格包合物[(C_2H_5)_4N~+]_2C_4H_4O_6~ (2-)·2(NH_2)_2CS·2H_2O，并通过单晶X射线衍射法对其进行了晶体结构测定。 结果表明该晶体属单斜晶系，P2_1空间群，晶胞参数a = 0.7727(2) nm，b = 1. 4707(4) nm，c = 1.4645(4) nm，β = 95.161(5)°，Z = 2，R_1 = 0.0488。晶 体为“三明治”式夹层结构，波形平面主体氢键网状结构由[酒石酸根-硫尿_2]三 聚体形成的双纽带，在两个水分子的桥连氢键连接下形成的。酒石酸根在主体晶格 的氢键形成中起到重要作用。

关键词: 包合物, 晶体结构, 氢键, 硫脲, 酒石酸, X射线衍射分析

A new inclusion complex tetraethylammonium tartrate thiourea-water [(C_2H_5)_4N~+]_2C_4H_4O_6~(2-)·2(NH_2)_2CS·2H_2O has been prepared and characterized by X-ray crystallography. Crystal data: Mo Kα radiation, P2_1 space group with lattice parameters a = 0.7727(2) nm, b = 1.4707(4) nm, c = 1.4645(4) nm, β = 95.161(5)°, Z = 2, R_1 = 0. 0488 for 5421 observed data. In the crystal structure of the title compound, the water molecules are located between the parallel double ribbons formed by [(NH_2)_2CS·(C_4H_4O_4~(2-))·(NH_2)_2CS] trimers and link them by hydrogen bonds to generate layer type host lattice. The tetraethylammonium cations are sandwiched between the puckered layers.

Key words: CLATHRATES, CRYSTAL STRUCTURE, HYDROGEN BONDS, THIOUREAS, TARTARIC ACID, XRD

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