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Tert-Butyl 6-methyl-2-oxo-4-[4-(trifluoro-meth-oxy)anilino]cyclo-hex-3-ene-1-carboxyl-ate.

ABSTRACT: In the title compound, C(19)H(22)F(3)NO(4), the dihedral angle between the benzene ring and the conjugated part of the enaminone ring is 42.5?(1)°. The ester substituent makes a dihedral angle of 81.3?(2)° with this latter moiety. The crystal structure is held together by strong N-H?O and weak C-H?O inter-molecular inter-actions. The enaminone ring is disordered over two orientations with relative occupancies of 0.794?(4) and 0.206?(4).

SUBMITTER: Alexander MS

PROVIDER: S-EPMC3011753 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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tert-Butyl 6-methyl-2-oxo-4-[4-(trifluoro-meth-oxy)anilino]cyclo-hex-3-ene-1-carboxyl-ate.

Alexander Mariano S MS North Henry H Scott Kenneth R KR Butcher Ray J RJ

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

In the title compound, C(19)H(22)F(3)NO(4), the dihedral angle between the benzene ring and the conjugated part of the enaminone ring is 42.5 (1)°. The ester substituent makes a dihedral angle of 81.3 (2)° with this latter moiety. The crystal structure is held together by strong N-H⋯O and weak C-H⋯O inter-molecular inter-actions. The enaminone ring is disordered over two orientations with relative occupancies of 0.794 (4) and 0.206 (4). ...[more]

PMID: 21589519

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