Dataset Information

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

ABSTRACT: The title compound, C(4)H(2)BrNO(3), 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 inter-molecular hydrogen bonds, each forms a distinctive inter-molecular network. In the title compound, there are two independent mol-ecules in the asymmetric unit, with a non-crystallographic twofold screw-like relationship between them. The two indpendent mol-ecules are linked by an inter-molecular N-H?O hydrogen bond. In the crystal structure, this hydrogen-bonded pair is linked to translationally related mol-ecules through further inter-molecular N-H?O hydrogen bonds, forming one-dimensional chains along [100]. The crystal structure also has short Br?O=C inter-molecular contacts with distances of 2.843?(4) and 2.852?(4)?Å.

SUBMITTER: Parrish D

PROVIDER: S-EPMC2970500 | biostudies-literature | 2009 Sep

REPOSITORIES: biostudies-literature

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

Parrish Damon D Tivitmahaisoon Parcharee P Rehberg Gretchen M GM Kastner Margaret E ME

Acta crystallographica. Section E, Structure reports online 20090905 Pt 10

The title compound, C(4)H(2)BrNO(3), 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 inter-molecular hydrogen bonds, each forms a distinctive inter-molecular network. In the title compound, there are two independent mol-ecules in the asymmetric unit, with a non-crystallographic twofold screw-like relationship between them. The two indpendent mol-ecules are linked by an ...[more]

PMID: 21577824

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Dataset Information

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

Publications

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

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