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Published on: October 30, 2012
Redetermination of 6-amino-5-formyl-1,3-dimethyluracil monohydrate at 120 K: a polarized molecular structure and two
José M de la Torre1, Manuel Nogueras, Justo Cobo
1Departamento de Química Inorgánica y Orgánica, Universidad de Jaén, 23071 Jaén, Spain.
Abstract:
The title compound [systematic name: 6-amino-5-formyl-1,3-dimethylpyrimidine-2,4(1H,3H)-dione monohydrate], C(7)H(9)N(3)O(3).H(2)O, has been reexamined at 120 K. The improved precision of the intramolecular dimensions provides evidence for a polarized molecular-electronic structure, and the molecular components are linked by one N-H...O and two O-H...O hydrogen bonds into two interwoven three-dimensional frameworks, which are weakly linked by the longer component of a three-centre N-H...(O)(2) hydrogen bond.
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