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
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 cry...
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International Union of Crystallography
2016-02-01
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314616002613 |
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doaj-5166df3e57264d4982ffc4eda4fda6522020-11-24T22:16:44ZengInternational Union of CrystallographyIUCrData2414-31462016-02-0112x16026110.1107/S2414314616002613su40145-[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 pentahydrateRavell Bengiat0Asne Klein1Maayan Gil2Benny Bogoslavsky3Shmuel Cohen4Guy Yardeni5Israel Zilbermann6Joseph Almog7Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, IsraelInstitute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, IsraelInstitute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, IsraelInstitute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, IsraelInstitute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, IsraelDepartment of Chemistry, The Nuclear Research Centre Negev, Beer Sheva, 84190, IsraelDepartment of Chemistry, The Nuclear Research Centre Negev, Beer Sheva, 84190, IsraelInstitute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, 9190401, IsraelThe 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.http://scripts.iucr.org/cgi-bin/paper?S2414314616002613crystal structureion-pair recognitionalloxanvasarene analoguessupramolecular ligandhydrogen bondingthree-dimensional supramolecular structure |
| collection |
DOAJ |
| language |
English |
| format |
Article |
| sources |
DOAJ |
| author |
Ravell Bengiat Asne Klein Maayan Gil Benny Bogoslavsky Shmuel Cohen Guy Yardeni Israel Zilbermann Joseph Almog |
| spellingShingle |
Ravell Bengiat Asne Klein Maayan Gil Benny Bogoslavsky Shmuel Cohen Guy Yardeni Israel Zilbermann Joseph Almog 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 IUCrData crystal structure ion-pair recognition alloxan vasarene analogues supramolecular ligand hydrogen bonding three-dimensional supramolecular structure |
| author_facet |
Ravell Bengiat Asne Klein Maayan Gil Benny Bogoslavsky Shmuel Cohen Guy Yardeni Israel Zilbermann Joseph Almog |
| author_sort |
Ravell Bengiat |
| title |
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 |
| title_short |
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 |
| title_full |
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 |
| title_fullStr |
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 |
| title_full_unstemmed |
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 |
| title_sort |
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 |
| publisher |
International Union of Crystallography |
| series |
IUCrData |
| issn |
2414-3146 |
| publishDate |
2016-02-01 |
| description |
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. |
| topic |
crystal structure ion-pair recognition alloxan vasarene analogues supramolecular ligand hydrogen bonding three-dimensional supramolecular structure |
| url |
http://scripts.iucr.org/cgi-bin/paper?S2414314616002613 |
| work_keys_str_mv |
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