7-Vinyl-8-aza-7-deaza-2'-deoxyadenosine monohydrate

In the title compound, 4-amino-1-(2-deoxy-beta-D-eythro-pentofuranosyl)-3-vinyl-1H-pyrazolo[3,4-d]pyrimidine monohydrate, C12H15N5O3.H2O, the conformation of the glycosyl bond is anti. The furanose moiety is in an S conformation with an unsymmetrical twist, and the conformation at the exocyclic C-C(...

Full description

Saved in:
Bibliographic Details
Published in:Acta crystallographica. Section C, Crystal structure communications Crystal structure communications, 2005-01, Vol.61 (Pt 1), p.o60-o62
Main Authors: SEELA, Frank, ZHANG, Yunlong, XU, Kuiying, EICKMEIER, Henning
Format: Article
Language:English
Subjects:
Aza Compounds - chemistry
Condensed matter: structure, mechanical and thermal properties
Crystalline state (including molecular motions in solids)
Crystallography, X-Ray
Deoxyadenosines - chemistry
Exact sciences and technology
Hydrogen Bonding
Molecular Structure
Physics
Structure of solids and liquids
crystallography
Structure of specific crystalline solids
Theory of crystal structure, crystal symmetry
calculations and modeling
Vinyl Compounds - chemistry
Water - chemistry
Citations: Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:In the title compound, 4-amino-1-(2-deoxy-beta-D-eythro-pentofuranosyl)-3-vinyl-1H-pyrazolo[3,4-d]pyrimidine monohydrate, C12H15N5O3.H2O, the conformation of the glycosyl bond is anti. The furanose moiety is in an S conformation with an unsymmetrical twist, and the conformation at the exocyclic C-C(OH) bond is +sc (gauche, gauche). The vinyl side chain is bent out of the heterocyclic ring plane by 147.5 (5) degrees . The three-dimensional packing is stabilized by O-H...O, O-H...N and N-H...O hydrogen bonds.
ISSN:0108-2701
1600-5759
DOI:10.1107/S0108270104029476