Title
Structure of 1-(2-deoxy-<tex>$\beta$</tex>-d-ribopyranosyl)-5-iodouracil Structure of 1-(2-deoxy-<tex>$\beta$</tex>-d-ribopyranosyl)-5-iodouracil
Author
Faculty/Department
Faculty of Pharmaceutical, Biomedical and Veterinary Sciences. Pharmacy
Publication type
article
Publication
Copenhagen ,
Subject
Chemistry
Source (journal)
Acta crystallographica: section C: crystal structure communications. - Copenhagen
Volume/pages
47(1991) :4 , p. 835-837
ISSN
0108-2701
ISI
A1991FJ77300049
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Abstract
1-(2-Deoxy-beta-D-ribopyranosyl)-5-iodouracil, C9H11IN2O5, M(r) = 354.10, monoclinic, P2(1), a = 5.458 (3), b = 8.237 (4), c = 12.812 (6) angstrom, beta = 98.42 (4)-degrees, V = 569.8 (5) angstrom3, Z = 2, D(m) = 2.05, D(x) = 2.063 Mg m-3, lambda-(Mo K-alpha) = 0.71069 angstrom, mu = 2.789 mm-1, F(000) = 344, T = 293 K, final R = 0.039 for 1701 unique observed [F greater-than-or-equal-to 4-sigma(F)] reflections. The sugar ring adopts a slightly flattened chair conformation. The heterocyclic base is placed in an - ap (antiperiplanar) orientation [chi = 196.4 (3)-degrees] with respect to the sugar moiety. Of the three sugar ring substituents, only O(33') is in an axial position. The packing of the crystal is determined by three intermolecular hydrogen bonds, involving O(33'), O(2) and O(44'). The conformational parameters are in accordance with the IUPAC-IUB Joint Commission on Biochemical Nomenclature [Pure Appl. Chem. (1983), 55, 1273-1280] guidelines.
E-info
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