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2-Ethyl-3-hy­droxy-1-isopropyl-4-pyridone

The title compound, C(10)H(15)NO(2), crystallized with three mol­ecules in the asymmetric unit. These three mol­ecules are quite similar except for slight differences in the torsion angles of the substituents on the ring. The isopropyl C—C—N—C torsion angles (towards the carbon next to the ethyl bou...

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Autores principales: Molokoane, Pule P., Schutte, M., Steyl, G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515315/
https://www.ncbi.nlm.nih.gov/pubmed/23284535
http://dx.doi.org/10.1107/S1600536812044091
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author Molokoane, Pule P.
Schutte, M.
Steyl, G.
author_facet Molokoane, Pule P.
Schutte, M.
Steyl, G.
author_sort Molokoane, Pule P.
collection PubMed
description The title compound, C(10)H(15)NO(2), crystallized with three mol­ecules in the asymmetric unit. These three mol­ecules are quite similar except for slight differences in the torsion angles of the substituents on the ring. The isopropyl C—C—N—C torsion angles (towards the carbon next to the ethyl bound carbon), for example, are −150.63 (11), −126.77 (13) and −138.76 (11)° for mol­ecules A, B and C, respectively, and the C—C—C—N torsion angles involving the ethyl C atoms are 102.90 (13), 87.81 (14) and 86.47 (13)°. The main difference between the three mol­ecules lies in the way they are arranged in the solid-state structure. All three mol­ecules form dimers that are connected through strong O—H⋯O hydrogen bonds with R (2) (2)(10) graph-set motifs. The symmetry of the dimers formed does however differ between mol­ecules. Mol­ecules B connect with each other to form inversion dimers. Mol­ecules A and C, on the other hand, form dimers with local twofold symmetry, but the two mol­ecules are crystallographically distinct. The B and C molecules are linked to themselves and to each other via C—H⋯O hydrogen bonds. This results in the formation of a three-dimensional network structure.
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spelling pubmed-35153152013-01-02 2-Ethyl-3-hy­droxy-1-isopropyl-4-pyridone Molokoane, Pule P. Schutte, M. Steyl, G. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(10)H(15)NO(2), crystallized with three mol­ecules in the asymmetric unit. These three mol­ecules are quite similar except for slight differences in the torsion angles of the substituents on the ring. The isopropyl C—C—N—C torsion angles (towards the carbon next to the ethyl bound carbon), for example, are −150.63 (11), −126.77 (13) and −138.76 (11)° for mol­ecules A, B and C, respectively, and the C—C—C—N torsion angles involving the ethyl C atoms are 102.90 (13), 87.81 (14) and 86.47 (13)°. The main difference between the three mol­ecules lies in the way they are arranged in the solid-state structure. All three mol­ecules form dimers that are connected through strong O—H⋯O hydrogen bonds with R (2) (2)(10) graph-set motifs. The symmetry of the dimers formed does however differ between mol­ecules. Mol­ecules B connect with each other to form inversion dimers. Mol­ecules A and C, on the other hand, form dimers with local twofold symmetry, but the two mol­ecules are crystallographically distinct. The B and C molecules are linked to themselves and to each other via C—H⋯O hydrogen bonds. This results in the formation of a three-dimensional network structure. International Union of Crystallography 2012-10-27 /pmc/articles/PMC3515315/ /pubmed/23284535 http://dx.doi.org/10.1107/S1600536812044091 Text en © Molokoane et al. 2012 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
Molokoane, Pule P.
Schutte, M.
Steyl, G.
2-Ethyl-3-hy­droxy-1-isopropyl-4-pyridone
title 2-Ethyl-3-hy­droxy-1-isopropyl-4-pyridone
title_full 2-Ethyl-3-hy­droxy-1-isopropyl-4-pyridone
title_fullStr 2-Ethyl-3-hy­droxy-1-isopropyl-4-pyridone
title_full_unstemmed 2-Ethyl-3-hy­droxy-1-isopropyl-4-pyridone
title_short 2-Ethyl-3-hy­droxy-1-isopropyl-4-pyridone
title_sort 2-ethyl-3-hy­droxy-1-isopropyl-4-pyridone
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515315/
https://www.ncbi.nlm.nih.gov/pubmed/23284535
http://dx.doi.org/10.1107/S1600536812044091
work_keys_str_mv AT molokoanepulep 2ethyl3hydroxy1isopropyl4pyridone
AT schuttem 2ethyl3hydroxy1isopropyl4pyridone
AT steylg 2ethyl3hydroxy1isopropyl4pyridone