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Crystal structure of a nucleoside analog: 1-(R)-[6-(R)-hydroxymethyl-1,4-dioxan-2-yl] uracil

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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,μ=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-H⋯O close contacts.

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Authors and Affiliations

  1. Crystallography and Molecular Biology Division, Saha Institute of Nuclear Physics, Sector 1, Block AF Bidhannagar, 700 064, Calcutta, India

    A. K. Das, M. Datta, S. K. Mazumdar & N. Das

  2. Laboratorium voor Farmaceutische Chemie, Rega Institute for Medical Research, Katholieke Universiteit, Leuven, B-3000, Leuven, Belgium

    A. Van Aerschot

  3. Department of Applied Physics, Electronics and Manufacturing Engineering, University of Dundee, DD1 4HN, Dundee, Scotland

    J. N. Low & R. Alan Howie

  4. Department of Chemistry, University of Aberdeen, AB9 2UE, Meston Walk, Old Aberdeen, Scotland

    J. N. Low & R. Alan Howie

Authors
  1. A. K. Das
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  2. M. Datta
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  3. S. K. Mazumdar
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  4. N. Das
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  5. A. Van Aerschot
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  6. J. N. Low
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  7. R. Alan Howie
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Das, A.K., Datta, M., Mazumdar, S.K. et al. Crystal structure of a nucleoside analog: 1-(R)-[6-(R)-hydroxymethyl-1,4-dioxan-2-yl] uracil. Journal of Crystallographic and Spectroscopic Research 22, 439–442 (1992). https://doi.org/10.1007/BF01195405

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  • DOI: https://doi.org/10.1007/BF01195405

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