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8-Aza-7-deaza-7-propynyladenosine methanol solvate.

Research paper by Wenqing W Lin, Kuiying K Xu, Henning H Eickmeier, Frank F Seela

Indexed on: 05 Apr '05Published on: 05 Apr '05Published in: Acta crystallographica. Section C, Crystal structure communications



Abstract

In the title compound, 4-amino-3-propynyl-1-(beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d]pyrimidine methanol solvate, C13H15N5O4.CH3OH, the torsion angle of the N-glycosylic bond is between anti and high-anti [chi = -101.8 (5) degrees ]. The ribofuranose moiety adopts the C3'-endo (3T2) sugar conformation (N-type) and the conformation at the exocyclic C-C bond is +sc (gauche, gauche). The propynyl group is out of the plane of the nucleobase and is bent. The compound forms a three-dimensional network which is stabilized by several hydrogen bonds (O-H...O and O-H...N). The nucleobases are stacked head-to-tail. The methanol solvent molecule forms hydrogen bonds with both the nucleobase and the sugar moiety.