Crystal and molecular structure of (+)-carba-thymidine, c11h16n2O6

Alajos Kálmán, Tibor Koritsánszky, József Bùres, Gyula Sagi

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Abstract

The molecular structure of (+)-carta-thymidine possessing notable anti-HSV activity has been determined by single crystal X-ray diffraction. It crystallizes in the monoclinic space group P2 with unit cell dimensions a = 4.310(2), b = 11.560(1)1, c = 10.014(1) A, β= 92.34(2)°, Z = 2. The structure was solved by direct methods and refined by least squares to a final R = 0.038 for 1027 reflections (I > 3σ(I)). The torsion angle x around the glycosidic N1-C1' bond agrees with that of thymidine (37.5o vs 39.1) whereas the C3' -exo pucker of the five—membered ring is shifted to an even less common Cl'-exo form.

Original languageEnglish
Pages (from-to)235-243
Number of pages9
JournalNucleosides and Nucleotides
Volume9
Issue number2
DOIs
Publication statusPublished - Feb 1 1990

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ASJC Scopus subject areas

  • Biochemistry
  • Genetics

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