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A new polymorph of 5-nitro-uracil monohydrate.

Pereira Silva PS, Domingos SR, Ramos Silva M, Paixão JA, Matos Beja A - Acta Crystallogr Sect E Struct Rep Online (2008)

Bottom Line: 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°.

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Affiliation: CEMDRX, Physics Department, University of Coimbra, P-3004-516 Coimbra, Portugal.

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°.

No MeSH data available.


Packing diagram, viewed down the a axis, with the hydrogen bonds depicted as dashed lines.
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Fap2: Packing diagram, viewed down the a axis, with the hydrogen bonds depicted as dashed lines.


A new polymorph of 5-nitro-uracil monohydrate.

Pereira Silva PS, Domingos SR, Ramos Silva M, Paixão JA, Matos Beja A - Acta Crystallogr Sect E Struct Rep Online (2008)

Packing diagram, viewed down the a axis, with the hydrogen bonds depicted as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2961351&req=5

Fap2: Packing diagram, viewed down the a axis, with the hydrogen bonds depicted as dashed lines.
Bottom Line: 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°.

View Article: PubMed Central - HTML - PubMed

Affiliation: CEMDRX, Physics Department, University of Coimbra, P-3004-516 Coimbra, Portugal.

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°.

No MeSH data available.