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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3515315 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |