(S)-2-[(4-Fluoro­phen­yl)formamido]-3-phenyl­propanoic acid

The title compound, C(16)H(14)FNO(3), was synthesized via solid phase methods; it exhibits monoclinic (P2(1)) symmetry at room temperature. The two independent mol­ecules that comprise the asymmetric unit display distinct torsion angles of 173.2 (2) and 72.6 (2)° along the central sp (3) C—N bond. I...

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Detalles Bibliográficos
Autores principales: Lee, Kathleen S., Turner, Luke, Powell, Cynthia B., Reinheimer, Eric W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462245/
https://www.ncbi.nlm.nih.gov/pubmed/36339782
http://dx.doi.org/10.1107/S2414314620008974
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author Lee, Kathleen S.
Turner, Luke
Powell, Cynthia B.
Reinheimer, Eric W.
author_facet Lee, Kathleen S.
Turner, Luke
Powell, Cynthia B.
Reinheimer, Eric W.
author_sort Lee, Kathleen S.
collection PubMed
description The title compound, C(16)H(14)FNO(3), was synthesized via solid phase methods; it exhibits monoclinic (P2(1)) symmetry at room temperature. The two independent mol­ecules that comprise the asymmetric unit display distinct torsion angles of 173.2 (2) and 72.6 (2)° along the central sp (3) C—N bond. In the crystal, hydrogen bonding through N—H⋯O contacts couples the asymmetric unit mol­ecules into pairs that align in layers extending parallel to (100) via additional O—H⋯O inter­actions. The phenyl ring of one independent mol­ecule was found to be disordered over two sets of sites in a 0.55 (3):0.45 (3) ratio. [Image: see text]
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spelling pubmed-94622452022-11-04 (S)-2-[(4-Fluoro­phen­yl)formamido]-3-phenyl­propanoic acid Lee, Kathleen S. Turner, Luke Powell, Cynthia B. Reinheimer, Eric W. IUCrdata Data Reports The title compound, C(16)H(14)FNO(3), was synthesized via solid phase methods; it exhibits monoclinic (P2(1)) symmetry at room temperature. The two independent mol­ecules that comprise the asymmetric unit display distinct torsion angles of 173.2 (2) and 72.6 (2)° along the central sp (3) C—N bond. In the crystal, hydrogen bonding through N—H⋯O contacts couples the asymmetric unit mol­ecules into pairs that align in layers extending parallel to (100) via additional O—H⋯O inter­actions. The phenyl ring of one independent mol­ecule was found to be disordered over two sets of sites in a 0.55 (3):0.45 (3) ratio. [Image: see text] International Union of Crystallography 2020-07-10 /pmc/articles/PMC9462245/ /pubmed/36339782 http://dx.doi.org/10.1107/S2414314620008974 Text en © Lee et al. 2020 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Lee, Kathleen S.
Turner, Luke
Powell, Cynthia B.
Reinheimer, Eric W.
(S)-2-[(4-Fluoro­phen­yl)formamido]-3-phenyl­propanoic acid
title (S)-2-[(4-Fluoro­phen­yl)formamido]-3-phenyl­propanoic acid
title_full (S)-2-[(4-Fluoro­phen­yl)formamido]-3-phenyl­propanoic acid
title_fullStr (S)-2-[(4-Fluoro­phen­yl)formamido]-3-phenyl­propanoic acid
title_full_unstemmed (S)-2-[(4-Fluoro­phen­yl)formamido]-3-phenyl­propanoic acid
title_short (S)-2-[(4-Fluoro­phen­yl)formamido]-3-phenyl­propanoic acid
title_sort (s)-2-[(4-fluoro­phen­yl)formamido]-3-phenyl­propanoic acid
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9462245/
https://www.ncbi.nlm.nih.gov/pubmed/36339782
http://dx.doi.org/10.1107/S2414314620008974
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