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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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Materias: | |
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 |
Sumario: | 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°. |
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