Crystal and molecular structure of 1,N6-ethenoadenosine hydrochloride
Authors:
- Mariusz Jaskólski
Abstract
The X-ray structure of 1, N6-ethenoadenosine hydrochloride, C12H14N5O4Cl, has been determined from three-dimensional diffractometer data and refined by full-matrix least-squares techniques. The crystals are monoclinic:P21 No. 14, a=6.1540(5), b=18.511(1), c=6.7412(4) Å, β=112.602(5)°,and Z=2; final R=0.045 for 2662 observed reflections. The crystal and molecular structure of ∈ Ado·HC1 is very similar to that of Ado·HC1. On the other hand, the dimensions and conformation of the ∈ Ado·H+ cation are drastically different from those of Et ∈ Ado·H+. The ∈ adenosine·H+ moiety is not planar but has an S shape. The ribose is 2′-endo-3′-exo puckered, with a g+ side chain; the glycosidic torsion angle is in the anti region. The structure contains a three-dimensional network of H bonds in which also C-H⋯A interactions seem to play an important role. There is no base stacking in the structure. © 1984 Plenum Publishing Corporation.
- Record ID
- UAM624e53ff5ed14518adff8aec390a591e
- Author
- Journal series
- Journal of Crystal and Molecular Structure, ISSN 0308-4086, e-ISSN 1572-8854
- Issue year
- 1984
- Vol
- 14
- Pages
- 45-57
- ASJC Classification
- ; ;
- DOI
- DOI:10.1007/BF01161422 Opening in a new tab
- Language
- (en) English
- Score (nominal)
- 0
- Score source
- journalList
- Publication indicators
- = 4; = 6
- Uniform Resource Identifier
- https://researchportal.amu.edu.pl/info/article/UAM624e53ff5ed14518adff8aec390a591e/
- URN
urn:amu-prod:UAM624e53ff5ed14518adff8aec390a591e
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