Crystal structure of a nucleoside analog: 1-(R)-[6-(R)-hydroxymethyl-1,4-dioxan-2-yl] uracil |
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| Authors: | A K Das M Datta S K Mazumdar N Das A Van Aerschot J N Low R Alan Howie |
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| Institution: | (1) Crystallography and Molecular Biology Division, Saha Institute of Nuclear Physics, Sector 1, Block AF Bidhannagar, 700 064 Calcutta, India;(2) Laboratorium voor Farmaceutische Chemie, Rega Institute for Medical Research, Katholieke Universiteit, Leuven, B-3000 Leuven, Belgium;(3) Department of Applied Physics, Electronics and Manufacturing Engineering, University of Dundee, DD1 4HN Dundee, Scotland;(4) Department of Chemistry, University of Aberdeen, AB9 2UE Meston Walk, Old Aberdeen, Scotland |
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| Abstract: | The title compound (C9H12N2O5,M
r
=228.2) crystallizes in the trigonal space groupP31,21 witha=b=9.438(3) andc=19.775(3) Å,V=1525.5 Å3,D
x
=1.490 gm cm–3,Z=6, =0.12 mm–1,F(000)=720.0,T=293 K. The structure was solved by direct methods and refined by full-matrix least-squares calculations to anR value of 0.044 on 843 unique observed reflections. The dioxane ring adopts a chair conformation. The crystal structure is stabilized by N-H O hydrogen bonds and C-HO close contacts. |
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