Department of Chemistry, University of Cape Town, Rondebosch 7701, South Africa.
Carbohydr Res. 2010 Jan 11;345(1):141-7. doi: 10.1016/j.carres.2009.10.023. Epub 2009 Nov 3.
The X-ray crystal structures and thermal stabilities of the inclusion complexes formed between the organophosphate insecticide fenitrothion [O,O-dimethyl O-(3-methyl-4-nitrophenyl) phosphorothioate] and the host compounds TRIMEA and TRIMEB (permethylated alpha- and beta-cyclodextrins, respectively) are reported. In the complex (TRIMEA)(2).fenitrothion 1, the guest phosphate ester group is disordered and the molecule is fully encapsulated within a novel TRIMEA dimer in which the secondary rims of the two host molecules are in close contact. In contrast, the complex TRIMEB.fenitrothion 2 is monomeric and the guest molecule is statistically disordered over two positions, with the phosphate group inserted in the host cavity in both cases. Thermal analysis indicated gradual and partial loss of the guest in 1 during heating between 130 degrees C and the melting point of the complex (approximately 200 degrees C), whereas complex 2 displayed significant mass loss only after fusion of the complex at 161 degrees C.
报告了有机磷杀虫剂 Fenitrothion（O,O-二甲基 O-(3-甲基-4-硝基苯基)硫代磷酸酯）与主体化合物 TRIMEA 和 TRIMEB（分别为全甲基化的α-和β-环糊精）形成的包合物的 X 射线晶体结构和热稳定性。在配合物（TRIMEA）（2）。Fenitrothion 1 中，客体磷酸酯基团无序，分子完全包裹在一种新颖的 TRIMEA 二聚体中，其中两个主体分子的次级边缘紧密接触。相比之下，配合物 TRIMEB。Fenitrothion 2 是单体，客体分子在两个位置上统计上无序，在两种情况下，磷酸基团都插入到主体空腔中。热分析表明，在 130°C 到配合物熔点（约 200°C）之间加热时，1 中逐渐且部分失去客体，而配合物 2 仅在 161°C 时配合物熔融后才显示出显著的质量损失。
