Redetermination of 6-amino-5-formyl-1,3-dimethyluracil monohydrate at 120 K: a polarized molecular structure and two interwoven hydrogen-bonded frameworks.
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.
de la Torre
José M
JM
Departamento de Química Inorgánica y Orgánica, Universidad de Jaén, 23071 Jaén, Spain.
Nogueras
Manuel
M
Cobo
Justo
J
Low
John N
JN
Glidewell
Christopher
C