7-Deaza-2,8-diazaadenosine

Autor(en): Lin, We-Qing
Ming, Xin
Eickmeier, Henning
Seela, Frank
Stichwörter: 2-AZAPURINES; Chemistry; Chemistry, Multidisciplinary; CONFORMATIONAL-ANALYSIS; CRYSTAL-STRUCTURE; Crystallography; NUCLEOSIDES; RING
Erscheinungsdatum: 2006
Herausgeber: INT UNION CRYSTALLOGRAPHY
Journal: ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
Volumen: 62
Ausgabe: 7
Startseite: O379-O381
Zusammenfassung: 
In the title compound [ systematic name: 4-amino-7-(beta-dribofuranosyl)-7H- pyrazolo[3,4-d][1,2,3]triazine], C9H12N6O4, 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 (T-2(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 center dot center dot center dot O, O-H center dot center dot center dot N and O-H center dot center dot center dot O).
ISSN: 20532296
DOI: 10.1107/S010827010601818X

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