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4-(3-Fluoro-4-methyl-anilino)-2-methyl-idene-4-oxo-butanoic acid.

ABSTRACT: The title compound, C12H12FNO3, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 3-fluoro-4-methyl-phenyl ring and the oxo-amine group is 25.7?(7)° in mol-ecule A and 71.3?(7)° in mol-ecule B, while the mean plane of the 2-methyl-idene-4-oxo-butanoic acid group is twisted by 76.2?(1)° from that of the oxo-amine group in mol-ecule A and by 76.2?(4)° in mol-ecule B. In the crystal, N-H?O and O-H?O hydrogen bonds [the latter forming an R 2 (2)(8) graph-set motif] link the mol-ecules into a two-dimensional network parallel to the ac plane.

SUBMITTER: Nayak PS

PROVIDER: S-EPMC3885031 | biostudies-literature | 2013 Nov

REPOSITORIES: biostudies-literature

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4-(3-Fluoro-4-methyl-anilino)-2-methyl-idene-4-oxo-butanoic acid.

Nayak Prakash S PS Narayana B B Jasinski Jerry P JP Yathirajan H S HS Kaur Manpreet M

Acta crystallographica. Section E, Structure reports online 20131109 Pt 12

The title compound, C12H12FNO3, crystallizes with two independent mol-ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 3-fluoro-4-methyl-phenyl ring and the oxo-amine group is 25.7 (7)° in mol-ecule A and 71.3 (7)° in mol-ecule B, while the mean plane of the 2-methyl-idene-4-oxo-butanoic acid group is twisted by 76.2 (1)° from that of the oxo-amine group in mol-ecule A and by 76.2 (4)° in mol-ecule B. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds [the l ...[more]

PMID: 24454206

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