N8-(2'-O-Methylribofuranosyl)-8-aza-7-deazaadenine monohydrate

In the title compound, 4-amino-2-(2-O-methyl-beta-D-ribofuranosyl)-2H-pyrazolo[3,4-d]pyrimidine monohydrate, C11H15N5O4.H2O, the conformation of the N-glycosylic bond is syn [chi = 20.1 (2) degrees ]. The ribofuranose moiety shows a C3'-endo (3T2) sugar puckering (N-type sugar), and the conform...

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Published inActa crystallographica. Section C, Crystal structure communications Vol. 62; no. Pt 2; pp. o79 - o81
Main Authors XIAOMEI ZHANG, BUDOW, Simone, LEONARD, Peter, EICKMEIER, Henning, SEELA, Frank
Format Journal Article
LanguageEnglish
Published Oxford Blackwell 01.02.2006
Subjects
Adenine - analogs & derivatives
Adenine - chemistry
Condensed matter: structure, mechanical and thermal properties
Crystallography, X-Ray
Exact sciences and technology
Hydrogen Bonding
Magnetic Resonance Spectroscopy
Models, Molecular
Molecular Structure
Monosaccharides - chemistry
Physics
Spectrophotometry, Ultraviolet
Structure of solids and liquids; crystallography
Structure of specific crystalline solids
Hydrogen bonds
Stacking sequence
Molecular structure
Conformation
Crystal structure
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Summary:In the title compound, 4-amino-2-(2-O-methyl-beta-D-ribofuranosyl)-2H-pyrazolo[3,4-d]pyrimidine monohydrate, C11H15N5O4.H2O, the conformation of the N-glycosylic bond is syn [chi = 20.1 (2) degrees ]. The ribofuranose moiety shows a C3'-endo (3T2) sugar puckering (N-type sugar), and the conformation at the exocyclic C4'-C5' bond is -ap (trans). The nucleobases are stacked head-to-head. The three-dimensional packing of the crystal structure is stabilized by hydrogen bonds between the 2'-O-methylribonucleosides and the solvent molecules.
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ISSN:0108-2701
1600-5759