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—H⋯O 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—H⋯O hydrogen bond. In the crystal structure, this hydrogen-bonded pair is linked to translationally related molecules through further intermolecular N—H⋯O hydrogen bonds, forming one-dimensional chains along [100]. The crystal structure also has short Br⋯O=C intermolecular contacts with distances of 2.843 (4) and 2.852 (4) Å.
Highlights
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
The two indpendent molecules are linked by an intermolecular N—H O hydrogen bond
This hydrogen-bonded pair is linked to translationally related molecules through further intermolecular N—H O hydrogen bonds, forming onedimensional chains along [100]
Summary
R factor = 0.038; wR factor = 0.092; data-to-parameter ratio = 16.3. 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. Each structure has identical potential for N—H O intermolecular hydrogen bonds, each forms a distinctive intermolecular network. There are two independent molecules in the asymmetric unit, with a non-crystallographic twofold screwlike relationship between them. The two indpendent molecules are linked by an intermolecular N—H O hydrogen bond. This hydrogen-bonded pair is linked to translationally related molecules through further intermolecular N—H O hydrogen bonds, forming onedimensional chains along [100]. The crystal structure has short Br O C intermolecular contacts with distances of.
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