| Crystal Structure and Conformation of [1-(β-D-lyxofuranosyl)uracil]-2′-spiro-5″-[4″-(S)-(diethoxyphosphinyl)-2″-oxazoline] |
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| 作者姓名： | 迟国臣 陈茹玉 王宏根 姚心侃 |
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| 作者单位： | 迟国臣,陈茹玉(Central Laboratory,Nankai University,Tianjin,300071,China);王宏根,姚心侃(Institute and National Key Laboratory of Elemento-Organic Chemistry,Nankai University,Tianjin 300071,China) |
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| 基金项目： | 教育部科学技术研究项目 |
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| 摘 要： | The title compound, C15H22N3O9P·2H2O, Mr=455.36, crystallizes in orthorhombic, space group P212121, with a =9.193(2), b =14.681(3), c =15.201(3)A, V =2501(1)A3, Z =4, Dx=1.474g/cm3, λ(MoKα)=0.71073A, μ=0.1894mm-1, T=299±1K, F(000)=960, R=0.061 and Rw=0.068 for 1899 observed reflections with I≥3σ(I). The analysis results indicate that the title compound is of lyxo-configuration and the configuration at C4″ is S. In the crystal state the molecule has anti conformation about glycosidic bond with the torsion angle-151.7°, the sugar ring is puckered with C3′-endo-C2′-exo, and the conformation of the C4′-C5′ bond is-sc.
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