Acta Chimica Sinica ›› 1998, Vol. 56 ›› Issue (8): 736-741. Previous Articles     Next Articles

Original Articles

(R)-N-(β-三氯锗丙酰基)四氢噻唑-2-硫酮-4-羧酸甲酯的合成及其晶体结构

李叶芝;郭纯孝;张丽;赵晓刚;黄化民   

  1. 吉林大学化学系
  • 发布日期:1998-08-15

Synthesis and structural study of (R)-N-(β-trichlorogermyl propionyl)thiazolidine-2-thione-4-carboxylic methyl ether

LI YEZHI;GUO CHUNXIAO;ZHANG LI;ZHAO XIAOGANG;HUANG HUAMIN   

  • Published:1998-08-15

(R)-N-(β-Trichlorogermyl propionyl)thiazolidine-2-thione-4- carboxylic methyl ether 1 [α]~D^2^0-89.40° was prepared by the reaction of trichlorogermyl propionyl chloride with (R)- thiazolidine-2-thione-4-carboxylic methyl ether. The (R)-(β- substituted propionyl thiazolidine-2-thione-4-methoxycarbonyl) germanium sesquioxide 2 was obtained by hydrolysis of compound 1, [α]~D^2^0-49.29°. The crystal structure of the title compound was determined by X-ray diffraction method. It is orthorhombic system with a=0.6192(1)nm, b=1.1147(4)nm, c=2.1796(8)nm, V=1.5045nm^3, Z=4, space group P2~12~12~1. The C=O group and C=S group are located in the opposite sides of C(4)-N-C(3) bonds, with trans-configuration in the molecule. The electronic structure of the title compound was studied by MNDO molecular orbital method. Distribution of the calculated net charges and bond orders were obtained. Nature of the frontier orbital transition and electronic spectra was discussed.

Key words: SYNTHESIS, THIAZOLE P, THIOKETONE, CRYSTAL STRUCTURE, X-RAY DIFFRACTION ANALYSIS, UNIT CELL, CARBOXYLIC ACID ESTER, PARAMETER, ELECTRONIC STRUCTURE, MOLECULAR ORBITAL METHOD

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