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4-(2,6-Dibromo-4-fluoro-anilino)pent-3-en-2-one.

ABSTRACT: The title enamino-ketone, C(11)H(10)Br(2)FNO, has a roughly planar pentenone chain; the maximum displacement of an atom from the pentenone plane is 0.071?(4)?Å. The dihedral angle between the benzene ring and the pentenone unit is 77.2?(1)°. Inter-molecular C-H?Br and C-H?O inter-actions, as well as an intra-molecular N-H?O inter-action, are observed. In both methyl groups, each H atom is disordered equally over two sites.

SUBMITTER: Venter GJ

PROVIDER: S-EPMC3247479 | biostudies-other | 2011 Nov

REPOSITORIES: biostudies-other

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4-(2,6-Dibromo-4-fluoro-anilino)pent-3-en-2-one.

Venter Gertruida J S GJ Steyl Gideon G Roodt Andreas A

Acta crystallographica. Section E, Structure reports online 20111029 Pt 11

The title enamino-ketone, C(11)H(10)Br(2)FNO, has a roughly planar pentenone chain; the maximum displacement of an atom from the pentenone plane is 0.071 (4) Å. The dihedral angle between the benzene ring and the pentenone unit is 77.2 (1)°. Inter-molecular C-H⋯Br and C-H⋯O inter-actions, as well as an intra-molecular N-H⋯O inter-action, are observed. In both methyl groups, each H atom is disordered equally over two sites. ...[more]

PMID: 22220097

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