title: 7-Deaza-2,8-diazaadenosine.
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).
authors.affiliation: Laboratorium für Organische und Bioorganische Chemie, Institut für Chemie, Universität Osnabrück, Barbarastrasse 7, 49069 Osnabrück, Germany.
authors.forename: Wen Qing
authors.initials: WQ
authors.lastname: Lin
authors.forename: Xin
authors.initials: X
authors.lastname: Ming
authors.forename: Henning
authors.initials: H
authors.lastname: Eickmeier
authors.forename: Frank
authors.initials: F
authors.lastname: Seela
mesh_terms: D000241:Adenosine / Q000031:analogs & derivatives* / Q000737:chemistry; D008968:Molecular Conformation
chemical_list: C511522:7-deaza-2,8-diazaadenosine; D000241:Adenosine