Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Pereira Silva, P. S., Domingos, S. R., Ramos Silva, M., Paixão, J. A., Matos Beja, A.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
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
Descripción
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°.