Crystal structure of 5-hydroxy-5-propylbarbituric acid
Molecules of the title compound, C7H10N2O4, systematic name 5-hydroxy-5-propylpyrimidine-2,4,6(1H,3H,5H)-trione, form a hydrogen-bonded framework which is based on three independent hydrogen bonds, N—H...O(carbonyl), N—H...O(hydroxy) and O—H...O(carbonyl). This framework has the topology of the 5-co...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2015-11-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989015018769 |
| _version_ | 1798030296838307840 |
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| author | Thomas Gelbrich Ulrich J. Griesser |
| author_facet | Thomas Gelbrich Ulrich J. Griesser |
| author_sort | Thomas Gelbrich |
| collection | DOAJ |
| description | Molecules of the title compound, C7H10N2O4, systematic name 5-hydroxy-5-propylpyrimidine-2,4,6(1H,3H,5H)-trione, form a hydrogen-bonded framework which is based on three independent hydrogen bonds, N—H...O(carbonyl), N—H...O(hydroxy) and O—H...O(carbonyl). This framework has the topology of the 5-connected nov net. Each molecule is linked to five other molecules via six hydrogen bonds, and the descriptor of the hydrogen-bonded structure is F65[44.66-nov]. The crystal packing is isostructural with that of the previously reported 5-hydroxy-5-ethyl analogue. |
| first_indexed | 2024-04-11T19:37:59Z |
| format | Article |
| id | doaj.art-03d70084992d4b50b06c1a48ff540f3a |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T19:37:59Z |
| publishDate | 2015-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-03d70084992d4b50b06c1a48ff540f3a2022-12-22T04:06:46ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902015-11-0171111311131410.1107/S2056989015018769zs2347Crystal structure of 5-hydroxy-5-propylbarbituric acidThomas Gelbrich0Ulrich J. Griesser1University of Innsbruck, Institute of Pharmacy, Innrain 52, 6020 Innsbruck, AustriaUniversity of Innsbruck, Institute of Pharmacy, Innrain 52, 6020 Innsbruck, AustriaMolecules of the title compound, C7H10N2O4, systematic name 5-hydroxy-5-propylpyrimidine-2,4,6(1H,3H,5H)-trione, form a hydrogen-bonded framework which is based on three independent hydrogen bonds, N—H...O(carbonyl), N—H...O(hydroxy) and O—H...O(carbonyl). This framework has the topology of the 5-connected nov net. Each molecule is linked to five other molecules via six hydrogen bonds, and the descriptor of the hydrogen-bonded structure is F65[44.66-nov]. The crystal packing is isostructural with that of the previously reported 5-hydroxy-5-ethyl analogue.http://scripts.iucr.org/cgi-bin/paper?S2056989015018769barbituratescrystal structurehydrogen bondingisostructuralitytopologyXPac |
| spellingShingle | Thomas Gelbrich Ulrich J. Griesser Crystal structure of 5-hydroxy-5-propylbarbituric acid Acta Crystallographica Section E: Crystallographic Communications barbiturates crystal structure hydrogen bonding isostructurality topology XPac |
| title | Crystal structure of 5-hydroxy-5-propylbarbituric acid |
| title_full | Crystal structure of 5-hydroxy-5-propylbarbituric acid |
| title_fullStr | Crystal structure of 5-hydroxy-5-propylbarbituric acid |
| title_full_unstemmed | Crystal structure of 5-hydroxy-5-propylbarbituric acid |
| title_short | Crystal structure of 5-hydroxy-5-propylbarbituric acid |
| title_sort | crystal structure of 5 hydroxy 5 propylbarbituric acid |
| topic | barbiturates crystal structure hydrogen bonding isostructurality topology XPac |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989015018769 |
| work_keys_str_mv | AT thomasgelbrich crystalstructureof5hydroxy5propylbarbituricacid AT ulrichjgriesser crystalstructureof5hydroxy5propylbarbituricacid |