N-(4-Eth­oxy­phen­yl)-3-oxobutanamide

The title compound, C(12)H(15)NO(3), crystallizes with Z′ = 2 in space group Pca2(1) with the two independent mol­ecules having almost the same conformation, differing mostly at the end of the butanamide chain. A local inversion center near 1/8, 3/4, z relates the two mol­ecules, as is common for st...

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Autores principales: Yerramsetty, Sreevandana, Fronczek, Frank R., Uppu, Rao M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626611/
https://www.ncbi.nlm.nih.gov/pubmed/37937129
http://dx.doi.org/10.1107/S2414314623005655
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author Yerramsetty, Sreevandana
Fronczek, Frank R.
Uppu, Rao M.
author_facet Yerramsetty, Sreevandana
Fronczek, Frank R.
Uppu, Rao M.
author_sort Yerramsetty, Sreevandana
collection PubMed
description The title compound, C(12)H(15)NO(3), crystallizes with Z′ = 2 in space group Pca2(1) with the two independent mol­ecules having almost the same conformation, differing mostly at the end of the butanamide chain. A local inversion center near 1/8, 3/4, z relates the two mol­ecules, as is common for structures in this space group with Z′ = 2. The mol­ecule crystallizes as the keto tautomer, and the β-diketone moieties are twisted out of planarity, with O—C⋯C—O pseudo torsion angles of −74.4 (5) and −83.9 (5)°. The N—H group of each independent mol­ecule donates an inter­molecular hydrogen bond to an amide carbonyl oxygen atom by positive or negative translations along the b axis, thus forming anti­parallel chains propagating in the [010] direction. [Image: see text]
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spelling pubmed-106266112023-11-07 N-(4-Eth­oxy­phen­yl)-3-oxobutanamide Yerramsetty, Sreevandana Fronczek, Frank R. Uppu, Rao M. IUCrdata Data Reports The title compound, C(12)H(15)NO(3), crystallizes with Z′ = 2 in space group Pca2(1) with the two independent mol­ecules having almost the same conformation, differing mostly at the end of the butanamide chain. A local inversion center near 1/8, 3/4, z relates the two mol­ecules, as is common for structures in this space group with Z′ = 2. The mol­ecule crystallizes as the keto tautomer, and the β-diketone moieties are twisted out of planarity, with O—C⋯C—O pseudo torsion angles of −74.4 (5) and −83.9 (5)°. The N—H group of each independent mol­ecule donates an inter­molecular hydrogen bond to an amide carbonyl oxygen atom by positive or negative translations along the b axis, thus forming anti­parallel chains propagating in the [010] direction. [Image: see text] International Union of Crystallography 2023-07-04 /pmc/articles/PMC10626611/ /pubmed/37937129 http://dx.doi.org/10.1107/S2414314623005655 Text en © Yerramsetty et al. 2023 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
Yerramsetty, Sreevandana
Fronczek, Frank R.
Uppu, Rao M.
N-(4-Eth­oxy­phen­yl)-3-oxobutanamide
title N-(4-Eth­oxy­phen­yl)-3-oxobutanamide
title_full N-(4-Eth­oxy­phen­yl)-3-oxobutanamide
title_fullStr N-(4-Eth­oxy­phen­yl)-3-oxobutanamide
title_full_unstemmed N-(4-Eth­oxy­phen­yl)-3-oxobutanamide
title_short N-(4-Eth­oxy­phen­yl)-3-oxobutanamide
title_sort n-(4-eth­oxy­phen­yl)-3-oxobutanamide
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10626611/
https://www.ncbi.nlm.nih.gov/pubmed/37937129
http://dx.doi.org/10.1107/S2414314623005655
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