Conformation and packing differences between two anomeric xylofuranosyl uracil nucleosides: Crystal structure of α-C14N2O7H18monohydrate

C.E.Briant; J.A.G.Drake; D.W.Jones

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Conformation and packing differences between two anomeric xylofuranosyl uracil nucleosides: Crystal structure of α-C14N2O7H18monohydrate

机译：Conformation and packing differences between two anomeric xylofuranosyl uracil nucleosides: Crystal structure of α-C14N2O7H18monohydrate

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5-Acetyl-1-(3,5-O-isopropylidene-α-D-xylofuranosyl) uracil monohydrate (α-AXU·H2O) crystallizes in an orthorhombic cell of dimensionsa=7.286(6),b14.281(10),c=15.852(11) Å. Its structure has been determined by direct methods from single-crystal CuKαX-ray data and refined to a conventionalRfactor of 0.055 over 1708 unique reflections. The furanose ring has conformation C2'endo-C3'endo(rather than the uncommon C3'endo-C4'exoas in β-AXU) and the glycosidic torsion angle is −31° (17° in β-AXU). The oxygen of the water molecule in α-AXU·H2O accepts a hydrogen bond (O 10...O 5=2.70 Å) from the sugar hydroxyl O5 and the hydrogens form hydrogen bonds to a uracil carbonyl (O 10...O 2=2.78 Å) and an isopropylidene oxygen atom (O 10

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《journal of chemical crystallography》 |1995年第3期|123-128|共页
作者
C.E.Briant; J.A.G.Drake; D.W.Jones;
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Chemical Design;

University of Bradford;

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Conformation and packing differences between two anomeric xylofuranosyl uracil nucleosides: Crystal structure of α-C14N2O7H18monohydrate

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