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

Autor(en): Lin, WQ
Xu, KY
Eickmeier, H
Seela, F
Stichwörter: BASE-PAIRS; Chemistry; Chemistry, Multidisciplinary; CRYSTAL; Crystallography; DUPLEX DNA; LONG-RANGE COOPERATIVITY; MOLECULAR-STRUCTURE; OLIGODEOXYNUCLEOTIDES; OLIGONUCLEOTIDES; PYRIMIDINES; RECOGNITION; STABILITY
Erscheinungsdatum: 2005
Herausgeber: INT UNION CRYSTALLOGRAPHY
Journal: ACTA CRYSTALLOGRAPHICA SECTION C-STRUCTURAL CHEMISTRY
Volumen: 61
Ausgabe: 4
Startseite: O195-O197
Zusammenfassung: 
In the title compound, 4-amino-3-propynyl-1-(beta-D-ribofuranosyl)-1H-pyrazolo[3,4-d] pyrimidine methanol solvate, C13H15N5O4 center dot 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 (T-3(2)) 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 center dot center dot center dot O and O-H center dot center dot center dot N). The nucleobases are stacked head-to-tail. The methanol solvent molecule forms hydrogen bonds with both the nucleobase and the sugar moiety.
ISSN: 20532296
DOI: 10.1107/S0108270105001927

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