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A new polymorph of 5-nitro-uracil monohydrate.

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°.

SUBMITTER: Pereira Silva PS

PROVIDER: S-EPMC2961351 | biostudies-literature | 2008 May

REPOSITORIES: biostudies-literature

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A new polymorph of 5-nitro-uracil monohydrate.

Pereira Silva P S PS Domingos S R SR Ramos Silva M M Paixão J A JA Matos Beja A A

Acta crystallographica. Section E, Structure reports online 20080517 Pt 6

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°. ...[more]

PMID: 21202606

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