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2′,3′-Dide­hydro-3′-deoxy­thymidine N-methyl-2-pyrrolidone solvate (D4T·NMPO).

Authors :
Viterbo, Davide
Milanesio, Marco
Pomés Hernández, Ramón
Rodríguez Tanty, Chryslaine
Colás González, Ivan
Sablón Carr­aza­na, Marquiza
Duque Rodríguez, Julio
Source :
Acta Crystallographica: Section C (Wiley-Blackwell); May2000, Vol. 56 Issue 5, p580-581, 2p
Publication Year :
2000

Abstract

The title compound, 1-(2′,3′-di­deoxy-β- d- glycero-pent-2-eno­furan­osyl)­thymine 1-methyl-2-pyrrolidone solvate, C<subscript>10</subscript>H<subscript>12</subscript>N<subscript>2</subscript>O<subscript>4</subscript>·­C<subscript>5</subscript>H<subscript>9</subscript>NO, 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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
01082701
Volume :
56
Issue :
5
Database :
Complementary Index
Journal :
Acta Crystallographica: Section C (Wiley-Blackwell)
Publication Type :
Academic Journal
Accession number :
63601043
Full Text :
https://doi.org/10.1107/S0108270100001451