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A new polymorph of 5-nitrouracil monohydrate
In the title compound, C(4)H(3)N(3)O(4)·H(2)O, molecules of 5-nitrouracil are hydrogen bonded in pairs across crystallographic centers of symmetry. The resulting dimers are also hydrogen bonded to the water molecules, forming a three-dimensional network. The pyrimidine ring is almost planar (wit...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2008
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961351/ https://www.ncbi.nlm.nih.gov/pubmed/21202606 http://dx.doi.org/10.1107/S1600536808014426 |
| _version_ | 1782188961895022592 |
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| author | Pereira Silva, P. S. Domingos, S. R. Ramos Silva, M. Paixão, J. A. Matos Beja, A. |
| author_facet | Pereira Silva, P. S. Domingos, S. R. Ramos Silva, M. Paixão, J. A. Matos Beja, A. |
| author_sort | Pereira Silva, P. S. |
| collection | PubMed |
| description | In the title compound, C(4)H(3)N(3)O(4)·H(2)O, molecules of 5-nitrouracil are hydrogen bonded in pairs across crystallographic centers of symmetry. The resulting dimers are also hydrogen bonded to the water molecules, forming a three-dimensional network. The pyrimidine ring is almost planar (with a maximum deviation of 0.0156 (9) Å for the one of the N atoms) and the nitro group is rotated by 12.4 (1)° out of the uracil plane, while in the other polymorph the value for the same angle is 5°. |
| format | Text |
| id | pubmed-2961351 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2008 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-29613512010-12-30 A new polymorph of 5-nitrouracil monohydrate Pereira Silva, P. S. Domingos, S. R. Ramos Silva, M. Paixão, J. A. Matos Beja, A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(4)H(3)N(3)O(4)·H(2)O, molecules of 5-nitrouracil are hydrogen bonded in pairs across crystallographic centers of symmetry. The resulting dimers are also hydrogen bonded to the water molecules, forming a three-dimensional network. The pyrimidine ring is almost planar (with a maximum deviation of 0.0156 (9) Å for the one of the N atoms) and the nitro group is rotated by 12.4 (1)° out of the uracil plane, while in the other polymorph the value for the same angle is 5°. International Union of Crystallography 2008-05-17 /pmc/articles/PMC2961351/ /pubmed/21202606 http://dx.doi.org/10.1107/S1600536808014426 Text en © Pereira Silva et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
| spellingShingle | Organic Papers Pereira Silva, P. S. Domingos, S. R. Ramos Silva, M. Paixão, J. A. Matos Beja, A. A new polymorph of 5-nitrouracil monohydrate |
| title | A new polymorph of 5-nitrouracil monohydrate |
| title_full | A new polymorph of 5-nitrouracil monohydrate |
| title_fullStr | A new polymorph of 5-nitrouracil monohydrate |
| title_full_unstemmed | A new polymorph of 5-nitrouracil monohydrate |
| title_short | A new polymorph of 5-nitrouracil monohydrate |
| title_sort | new polymorph of 5-nitrouracil monohydrate |
| topic | Organic Papers |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961351/ https://www.ncbi.nlm.nih.gov/pubmed/21202606 http://dx.doi.org/10.1107/S1600536808014426 |
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