4-(3-Fluoro-4-methyl­anilino)-2-methyl­idene-4-oxo­butanoic acid

The title compound, C(12)H(12)FNO(3), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 3-fluoro-4-methyl­phenyl ring and the oxo­amine group is 25.7 (7)° in mol­ecule A and 71.3 (7)° in mol­ecule B, while the mean plane...

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Autores principales: Nayak, Prakash S., Narayana, B., Jasinski, Jerry P., Yathirajan, H. S., Kaur, Manpreet
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885031/
https://www.ncbi.nlm.nih.gov/pubmed/24454206
http://dx.doi.org/10.1107/S160053681302998X
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author Nayak, Prakash S.
Narayana, B.
Jasinski, Jerry P.
Yathirajan, H. S.
Kaur, Manpreet
author_facet Nayak, Prakash S.
Narayana, B.
Jasinski, Jerry P.
Yathirajan, H. S.
Kaur, Manpreet
author_sort Nayak, Prakash S.
collection PubMed
description The title compound, C(12)H(12)FNO(3), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 3-fluoro-4-methyl­phenyl ring and the oxo­amine group is 25.7 (7)° in mol­ecule A and 71.3 (7)° in mol­ecule B, while the mean plane of the 2-methyl­idene-4-oxo­butanoic acid group is twisted by 76.2 (1)° from that of the oxo­amine group in mol­ecule A and by 76.2 (4)° in mol­ecule 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 mol­ecules into a two-dimensional network parallel to the ac plane.
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spelling pubmed-38850312014-01-17 4-(3-Fluoro-4-methyl­anilino)-2-methyl­idene-4-oxo­butanoic acid Nayak, Prakash S. Narayana, B. Jasinski, Jerry P. Yathirajan, H. S. Kaur, Manpreet Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(12)H(12)FNO(3), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angle between the mean planes of the 3-fluoro-4-methyl­phenyl ring and the oxo­amine group is 25.7 (7)° in mol­ecule A and 71.3 (7)° in mol­ecule B, while the mean plane of the 2-methyl­idene-4-oxo­butanoic acid group is twisted by 76.2 (1)° from that of the oxo­amine group in mol­ecule A and by 76.2 (4)° in mol­ecule 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 mol­ecules into a two-dimensional network parallel to the ac plane. International Union of Crystallography 2013-11-09 /pmc/articles/PMC3885031/ /pubmed/24454206 http://dx.doi.org/10.1107/S160053681302998X Text en © Nayak et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Nayak, Prakash S.
Narayana, B.
Jasinski, Jerry P.
Yathirajan, H. S.
Kaur, Manpreet
4-(3-Fluoro-4-methyl­anilino)-2-methyl­idene-4-oxo­butanoic acid
title 4-(3-Fluoro-4-methyl­anilino)-2-methyl­idene-4-oxo­butanoic acid
title_full 4-(3-Fluoro-4-methyl­anilino)-2-methyl­idene-4-oxo­butanoic acid
title_fullStr 4-(3-Fluoro-4-methyl­anilino)-2-methyl­idene-4-oxo­butanoic acid
title_full_unstemmed 4-(3-Fluoro-4-methyl­anilino)-2-methyl­idene-4-oxo­butanoic acid
title_short 4-(3-Fluoro-4-methyl­anilino)-2-methyl­idene-4-oxo­butanoic acid
title_sort 4-(3-fluoro-4-methyl­anilino)-2-methyl­idene-4-oxo­butanoic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885031/
https://www.ncbi.nlm.nih.gov/pubmed/24454206
http://dx.doi.org/10.1107/S160053681302998X
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