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(Z)-4-(2,5-Di-tert-butylanilino)pent-3-en-2-one
In the crystal structure of the title ketoamine, C(19)H(29)NO, the bond lengths from the N atom through the alkene group to the ketone O atom show the presence of an extensively delocalized π-system. The dihedral angle between the plane of the phenyl ring and that of the alkene component is 63.45 (7...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120447/ https://www.ncbi.nlm.nih.gov/pubmed/21754790 http://dx.doi.org/10.1107/S1600536811017296 |
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author | Pastrán, Jesús Ramírez, Andrea Agrifoglio, Giuseppe Linden, Anthony Dorta, Romano |
author_facet | Pastrán, Jesús Ramírez, Andrea Agrifoglio, Giuseppe Linden, Anthony Dorta, Romano |
author_sort | Pastrán, Jesús |
collection | PubMed |
description | In the crystal structure of the title ketoamine, C(19)H(29)NO, the bond lengths from the N atom through the alkene group to the ketone O atom show the presence of an extensively delocalized π-system. The dihedral angle between the plane of the phenyl ring and that of the alkene component is 63.45 (7)° due to steric hindrance exerted by the tert-butyl groups. The molecule has a Z-configured alkene function, which is facilitated by an intramolecular N—H⋯O hydrogen bond between the amine and ketone groups. The molecules are linked into extended chains, which run parallel to the [010] direction, by a very weak C—H⋯O interaction between the methyl substituent of the alkene group and the ketone O atom of a neighbouring molecule. |
format | Online Article Text |
id | pubmed-3120447 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-31204472011-07-13 (Z)-4-(2,5-Di-tert-butylanilino)pent-3-en-2-one Pastrán, Jesús Ramírez, Andrea Agrifoglio, Giuseppe Linden, Anthony Dorta, Romano Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title ketoamine, C(19)H(29)NO, the bond lengths from the N atom through the alkene group to the ketone O atom show the presence of an extensively delocalized π-system. The dihedral angle between the plane of the phenyl ring and that of the alkene component is 63.45 (7)° due to steric hindrance exerted by the tert-butyl groups. The molecule has a Z-configured alkene function, which is facilitated by an intramolecular N—H⋯O hydrogen bond between the amine and ketone groups. The molecules are linked into extended chains, which run parallel to the [010] direction, by a very weak C—H⋯O interaction between the methyl substituent of the alkene group and the ketone O atom of a neighbouring molecule. International Union of Crystallography 2011-05-14 /pmc/articles/PMC3120447/ /pubmed/21754790 http://dx.doi.org/10.1107/S1600536811017296 Text en © Pastrán et al. 2011 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 Pastrán, Jesús Ramírez, Andrea Agrifoglio, Giuseppe Linden, Anthony Dorta, Romano (Z)-4-(2,5-Di-tert-butylanilino)pent-3-en-2-one |
title | (Z)-4-(2,5-Di-tert-butylanilino)pent-3-en-2-one |
title_full | (Z)-4-(2,5-Di-tert-butylanilino)pent-3-en-2-one |
title_fullStr | (Z)-4-(2,5-Di-tert-butylanilino)pent-3-en-2-one |
title_full_unstemmed | (Z)-4-(2,5-Di-tert-butylanilino)pent-3-en-2-one |
title_short | (Z)-4-(2,5-Di-tert-butylanilino)pent-3-en-2-one |
title_sort | (z)-4-(2,5-di-tert-butylanilino)pent-3-en-2-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3120447/ https://www.ncbi.nlm.nih.gov/pubmed/21754790 http://dx.doi.org/10.1107/S1600536811017296 |
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