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在吡啶存在下,由9-芴甲氧羰酰氯与四氢噻唑-2-硫酮反应得到3-(9-芴甲氧羰基)四氢噻唑-2-硫酮,产率为78.0%.用X射线衍射法测定晶体结构,属正交晶系,Pca2_1空间群,晶体学参数:α=0.9654(2),b=2.8032(1),c=0.6069(2)nm,Z=4.分子中的C=O与C=S基团`处在C(3)-N-C(4)键的同侧,为顺式结构.用PM3分子轨道方法研究该化合物的电子结构、电荷和键序分布、前线轨道性质.
Reaction of 9-fluorenylmethoxycarbonyl chloride with tetrahydrothiazole-2-thione in the presence of pyridine gave 3- (9-fluorenylmethyloxycarbonyl) thiazolidine-2-thione in 78.0% yield. The crystal structure was determined by X-ray diffraction. It belongs to the orthorhombic Pca2_1 space group. The crystallographic parameters are α = 0.9654 (2), b = 2.8032 (1), c = 0.6069 (2) nm and Z = The C = O and C = S groups are located on the same side of the C (3) -NC (4) bond and are in the cis form. The electronic structure, charge and bond order distribution of the compound were studied by PM3 molecular orbital method, Front orbital nature.