ISSN:
1600-5759
Source:
Crystallography Journals Online : IUCR Backfile Archive 1948-2001
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
Notes:
The title compound, 1-(2′,3′-dideoxy-β-D-glycero-pent-2-enofuranosyl)thymine 1-methyl-2-pyrrolidone solvate, C10H12N2O4·C5H9NO, is an NMPO solvate of the anti-AIDS agent D4T. In its crystal structure, both the pyrimidine and the furanose rings are planar and approximately perpendicular [82.1 (4)°]. The value of the torsion angle defining the orientation of the thymine with respect to the joined furane, χ = −100.8 (4)°, and that of the torsion angle giving the orientation of the hydroxyl group linked to the furane ring, γ = 52.9 (5)°, show that the glycosylic link adopts the so-called high-anti conformation and the 5′-hydroxyl group is in the +sc position. The NMPO solvate is linked to the nucleoside through a fairly strong hydrogen bond.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1107/S0108270100001451
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