Acta Cryst. (2009). E65, o2355  [ doi:10.1107/S1600536809034631 ]

4-Bromo-2H-1,3-oxazine-2,6(3H)-dione

D. Parrish, P. Tivitmahaisoon, G. M. Rehberg and M. E. Kastner

Abstract: The title compound, C₄H₂BrNO₃, is one of a series of three substituted oxauracils prepared as precursors in the preparation of 1-aza-1,3-butadienes. Although each structure has identical potential for N-HO intermolecular hydrogen bonds, each forms a distinctive intermolecular network. In the title compound, there are two independent molecules in the asymmetric unit, with a non-crystallographic twofold screw-like relationship between them. The two indpendent molecules are linked by an intermolecular N-HO hydrogen bond. In the crystal structure, this hydrogen-bonded pair is linked to translationally related molecules through further intermolecular N-HO hydrogen bonds, forming one-dimensional chains along [100]. The crystal structure also has short BrO=C intermolecular contacts with distances of 2.843 (4) and 2.852 (4) Å.

Online 5 September 2009

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