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Dl-Methyl 4-(4-meth-oxy-phen-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

ABSTRACT: In the title compound, C(21)H(25)NO(4), the dihydropyridine ring adopts a flattened boat conformation. The N atom and the sp(3) C atom deviate in the same direction from the mean plane of the other four C atoms, by 0.269?(6) and 0.111?(6)?Å, respectively. This mean plane is inclined to the 4-methoxy-phenyl ring by 87.3?(5)°. The cyclohexenone ring has a sofa conformation with the C atom bearing the methyl groups deviating from the mean plane through the other five C atoms by 0.628?(6)?Å. There is a short C-H?O hydrogen bond in the molecule. In the crystal, molecules are linked by an N-H?O hydrogen bond to form chains propagating along the c-axis direction.

SUBMITTER: Zhao JM

PROVIDER: S-EPMC3295513 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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dl-Methyl 4-(4-meth-oxy-phen-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexa-hydro-quinoline-3-carboxyl-ate.

Zhao Jing-Min JM

Acta crystallographica. Section E, Structure reports online 20120217 Pt 3

In the title compound, C(21)H(25)NO(4), the dihydropyridine ring adopts a flattened boat conformation. The N atom and the sp(3) C atom deviate in the same direction from the mean plane of the other four C atoms, by 0.269 (6) and 0.111 (6) Å, respectively. This mean plane is inclined to the 4-methoxy-phenyl ring by 87.3 (5)°. The cyclohexenone ring has a sofa conformation with the C atom bearing the methyl groups deviating from the mean plane through the other five C atoms by 0.628 (6) Å. There i ...[more]

PMID: 22412624

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