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  • 1
    Electronic Resource
    Electronic Resource
    Conformation and packing differences between two anomeric xylofuranosyl uracil nucleosides: Crystal structure of α-C14N2O7H18 monohydrate (1995)
    Springer
    Journal of chemical crystallography 25 (1995), S. 123-128 
    Details
    ISSN: 1572-8854
    Keywords: Nucleoside ; hydrated nucleoside ; anomeric differences ; pyrimidine ; uracil ; xylofuranosyl ring ; isopropylidene rings
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 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),b 14.281(10),c=15.852(11) Å. Its structure has been determined by direct methods from single-crystal CuK α X-ray data and refined to a conventionalR factor of 0.055 over 1708 unique reflections. The furanose ring has conformation C2'endo-C3'endo (rather than the uncommon C3'endo-C4'exo as 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...O 7=2.90 Å).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01665987
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  • 2
    Electronic Resource
    Electronic Resource
    The cyanocarbonyl group: synthesis and crystal structure of an imidazole carbonyl cyanide, C12N5OH17 (1998)
    Springer
    Journal of chemical crystallography 28 (1998), S. 561-564 
    Details
    ISSN: 1572-8854
    Keywords: Acylcyanide ; cyanocarbonyl ; imidazole ; carbonyl cyanide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 1-t-Butyl-5-N-(dimethylaminomethylene)aminoimidazole-4-carbonyl cyanide (BUNDAMIC) is the first acyl cyanide to be synthesized from an imidazole-4-carboxylic acid, diethylphosphorocyanidate, and triethylamine and its structure determined by x-ray crystallography. It crystallizes with four molecules in the monoclinic space group C2/m with a = 17.824(2), b = 6.784(2), c = 11.039(2) Å, and β = 96.17(1)°; R = 0.036 over 1086 unique x-ray reflections. The cyanocarbonyl group is nearly linear, C-C≡ N angle 174.4(3)°, with dimensions C≡ N, 1.137(3); C-C 1.493(3); and C=O≡ N 1.224(3) Å. The imidazole ring, in the mirror plane, has a lengthened C4 = C5 bond of 1.421(3) A, and there is a short ring-closing approach, H⋯ O6 =2.07 Å, between the methyleneamino hydrogen and the carbonyl oxygen.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1023/A:1023200307429
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    Paper (German National Licenses)
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