Abstract
In the title compound, C4H3N3O4·H2O, 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°.
Cite
CITATION STYLE
Pereira Silva, P. S., Domingos, S. R., Ramos Silva, M., Paixão, J. A., & Matos Beja, A. (2008). A new polymorph of 5-nitro-uracil monohydrate. Acta Crystallographica Section E: Structure Reports Online, 64(6). https://doi.org/10.1107/S1600536808014426
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