Please use this identifier to cite or link to this item:
https://hdl.handle.net/10316/110435
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Pereira Silva, P. S. | - |
dc.contributor.author | Domingos, S. R. | - |
dc.contributor.author | Silva, M. Ramos | - |
dc.contributor.author | Paixão, J. A. | - |
dc.contributor.author | Beja, A. Matos | - |
dc.date.accessioned | 2023-11-23T10:05:11Z | - |
dc.date.available | 2023-11-23T10:05:11Z | - |
dc.date.issued | 2008-05-17 | - |
dc.identifier.issn | 1600-5368 | pt |
dc.identifier.uri | https://hdl.handle.net/10316/110435 | - |
dc.description.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°. | pt |
dc.language.iso | eng | pt |
dc.publisher | International Union of Crystallography | pt |
dc.relation | POCI/FIS/58309/2004 | pt |
dc.rights | openAccess | pt |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | pt |
dc.subject | single-crystal X-ray study | pt |
dc.subject | T = 293 K | pt |
dc.subject | mean (C–C) = 0.001 A° | pt |
dc.subject | R factor = 0.043 | pt |
dc.subject | wR factor = 0.131 | pt |
dc.subject | data-to-parameter ratio = 19.4 | pt |
dc.title | A new polymorph of 5-nitro-uracil monohydrate | pt |
dc.type | article | - |
degois.publication.firstPage | o1091 | pt |
degois.publication.lastPage | o1091 | pt |
degois.publication.issue | Pt 6 | pt |
degois.publication.title | Acta Crystallographica Section E: Structure Reports Online | pt |
dc.peerreviewed | yes | pt |
dc.identifier.doi | 10.1107/S1600536808014426 | pt |
degois.publication.volume | 64 | pt |
dc.date.embargo | 2008-05-17 | * |
uc.date.periodoEmbargo | 0 | pt |
item.grantfulltext | open | - |
item.cerifentitytype | Publications | - |
item.languageiso639-1 | en | - |
item.openairetype | article | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.fulltext | Com Texto completo | - |
crisitem.author.researchunit | CFisUC – Center for Physics of the University of Coimbra | - |
crisitem.author.researchunit | CFisUC – Center for Physics of the University of Coimbra | - |
crisitem.author.orcid | 0000-0002-7908-9778 | - |
crisitem.author.orcid | 0000-0001-9555-8856 | - |
crisitem.author.orcid | 0000-0003-4634-7395 | - |
crisitem.author.orcid | 0000-0003-1449-5123 | - |
Appears in Collections: | FCTUC Física - Artigos em Revistas Internacionais |
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File | Description | Size | Format | |
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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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