Crystal and Molecular Structure of (+)-Carba-Thymidine, C11H10N2O6
- 1 February 1990
- journal article
- research article
- Published by Taylor & Francis in Nucleosides, Nucleotides and Nucleic Acids
- Vol. 9 (2) , 235-243
- https://doi.org/10.1080/07328319008045135
Abstract
The molecular structure of (+)-carba-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 = 4.810(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 < 36(I)). The torsion angle x around the glycosidic N1-C1′ bond agrees with that of thymidine (37.5°vs 39.1°) whereas the C3′-exo pucker of the five-membered ring is shifted to an even less common C1′-eao form.This publication has 13 references indexed in Scilit:
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