IUCrData
(Feb 2016)
5-[2,4-Dihydroxy-5-(5-hydroxy-2,4,6-trioxo-3,5-dihydro-1H-pyrimidin-5-yl)-3-methoxyphenyl]-5-hydroxy-3,5-dihydro-1H-pyrimidine-2,4,6-trione pentahydrate
Ravell Bengiat,
Asne Klein,
Maayan Gil,
Benny Bogoslavsky,
Shmuel Cohen,
Guy Yardeni,
Israel Zilbermann,
Joseph Almog
Affiliations
Ravell Bengiat
Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel
Asne Klein
Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel
Maayan Gil
Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel
Benny Bogoslavsky
Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel
Shmuel Cohen
Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel
Guy Yardeni
Department of Chemistry, The Nuclear Research Centre Negev, Beer Sheva, 84190, Israel
Israel Zilbermann
Department of Chemistry, The Nuclear Research Centre Negev, Beer Sheva, 84190, Israel
Joseph Almog
Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, Israel
DOI
https://doi.org/10.1107/S2414314616002613
Journal volume & issue
Vol. 1,
no. 2
Abstract
Read online
The title compound, C15H12N4O11·5H2O, has a `propeller-like' structure. The two alloxan units have screw-boat conformations. Their mean planes are normal to the central aromatic ring with dihedral angles of 87.91 (7) and 88.27 (7)°, and they are inclined to one another by 40.86 (7)°. In the crystal, molecules are linked via O—H...O and N—H...O hydrogen bonds, forming a three-dimensional framework. There are also C—H...O hydrogen bonds present within the framework.
Keywords
Published in IUCrData
ISSN
2414-3146 (Online)
Publisher
International Union of Crystallography
Country of publisher
United Kingdom
LCC subjects
Science: Chemistry: Crystallography
Website
https://iucrdata.iucr.org
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