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7-Deaza-2,8-diazaadenosine.

Research paper by Wen Qing WQ Lin, Xin X Ming, Henning H Eickmeier, Frank F Seela

Indexed on: 11 Jul '06Published on: 11 Jul '06Published in: Acta crystallographica. Section C, Crystal structure communications



Abstract

In the title compound [systematic name: 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrazolo[3,4-d][1,2,3]triazine], C(9)H(12)N(6)O(4), the torsion angle of the N-glycosylic bond is high anti [chi = -83.2 (3) degrees ]. The ribofuranose moiety adopts the C2'-endo-C1'-exo ((2)T(1)) sugar conformation (S-type sugar pucker), with P = 152.4 degrees and tau(m) = 35.0 degrees . The conformation at the C4'-C5' bond is +sc (gauche,gauche), with the torsion angle gamma = 52.0 (3) degrees . The compound forms a three-dimensional network that is stabilized by several hydrogen bonds (N-H...O, O-H...N and O-H...O).