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(Z)-4-(2,5-Di-tert-butyl-anilino)pent-3-en-2-one.

ABSTRACT: 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 ?-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 mol-ecule has a Z-configured alkene function, which is facilitated by an intra-molecular N-H?O hydrogen bond between the amine and ketone groups. The mol-ecules are linked into extended chains, which run parallel to the [010] direction, by a very weak C-H?O inter-action between the methyl substituent of the alkene group and the ketone O atom of a neighbouring mol-ecule.

SUBMITTER: Pastran J

PROVIDER: S-EPMC3120447 | biostudies-literature | 2011 Jun

REPOSITORIES: biostudies-literature

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(Z)-4-(2,5-Di-tert-butyl-anilino)pent-3-en-2-one.

Pastrán Jesús J Ramírez Andrea A Agrifoglio Giuseppe G Linden Anthony A Dorta Romano R

Acta crystallographica. Section E, Structure reports online 20110514 Pt 6

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 mol-ecule has a Z-configured alkene function, which is facilitated by an intra-molecular N-H⋯O hydrogen bond between the amine and keto ...[more]

PMID: 21754790

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