Crystal Structure and Conformation of [1-(β-D-lyxofuranosyl)uracil]- 2'-spiro-5\\"-[4\

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The title compound, C15H22N3O9P?H2O, Mr=455.36, crystallizes in orthorhombic, space group P212121, with a =9.193(2), b =14.681(3), c =15.201(3), V =2501(1)3, Z =4, Dx=1.474g/cm3, l(MoKa)=0.71073, m=0.1894mm-1, T=2991K, F(000)=960, R=0.061 and Rw=0.068 for 1899 observed reflections with I≥3s(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 C4C5 bond is -sc. The title compound, C15H22N3O9P · H2O, Mr = 455.36, crystallizes in orthorhombic space group P212121 with a = 9.193 (2), b = 14.681 (3), c = 15.201 (3), V = 2501 Z = 4, Dx = 1.474g / cm3, l (MoKa) = 0.71073, m = 0.1894mm-1, T = 2991K, F (000) = 960, R = 0.061 and Rw = 0.068 for 1899, 3s (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 C4C5 bond is -sc.
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