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https://hdl.handle.net/10316/110435| Title: | A new polymorph of 5-nitro-uracil monohydrate | Authors: | Pereira Silva, P. S. Domingos, S. R. Silva, M. Ramos Paixão, J. A. Beja, A. Matos |
Keywords: | single-crystal X-ray study; T = 293 K; mean (C–C) = 0.001 A°; R factor = 0.043; wR factor = 0.131; data-to-parameter ratio = 19.4 | Issue Date: | 17-May-2008 | Publisher: | International Union of Crystallography | Project: | POCI/FIS/58309/2004 | metadata.degois.publication.title: | Acta Crystallographica Section E: Structure Reports Online | metadata.degois.publication.volume: | 64 | metadata.degois.publication.issue: | Pt 6 | Abstract: | In the title compound, C(4)H(3)N(3)O(4)·H(2)O, mol-ecules of 5-nitro--uracil are hydrogen bonded in pairs across crystallographic centers of symmetry. The resulting dimers are also hydrogen bonded to the water mol-ecules, 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°. | URI: | https://hdl.handle.net/10316/110435 | ISSN: | 1600-5368 | DOI: | 10.1107/S1600536808014426 | Rights: | openAccess |
| Appears in Collections: | FCTUC Física - Artigos em Revistas Internacionais |
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| A-new-polymorph-of-5nitrouracil-monohydrateActa-Crystallographica-Section-E-Structure-Reports-Online.pdf | 415.68 kB | Adobe PDF | View/Open |
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