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(Z)-4-(2,5-Di-tert-butylanilino)pent-3-en-2-one


Pastrán, J; Ramirez, A; Agrifoglio, G; Linden, Anthony; Dorta, R (2011). (Z)-4-(2,5-Di-tert-butylanilino)pent-3-en-2-one. Acta Crystallographica. Section E, Structure Reports Online, 67(6):o1405-o1406.

Abstract

In the crystal structure of the title ketoamine, C19H29NO, the bond lengths from the N atom through the alkene group to the ketone O atom show the presence of an extensively delocalized [pi]-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.

Abstract

In the crystal structure of the title ketoamine, C19H29NO, the bond lengths from the N atom through the alkene group to the ketone O atom show the presence of an extensively delocalized [pi]-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.

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Additional indexing

Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
Dewey Decimal Classification:540 Chemistry
Scopus Subject Areas:Physical Sciences > General Chemistry
Physical Sciences > General Materials Science
Physical Sciences > Condensed Matter Physics
Language:English
Date:2011
Deposited On:17 May 2011 14:40
Last Modified:20 May 2020 09:59
Publisher:Wiley-Blackwell
ISSN:1600-5368
Funders:FONACIT (project S1– 2001000851)
OA Status:Gold
Publisher DOI:https://doi.org/10.1107/S1600536811017296

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