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2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro-meth-yl)phen-yl]-1,4,5,6,7,8-hexa-hydro-quinoline-3-carbonitrile.

ABSTRACT: In the title mol-ecule, C19H18F3N3O, the dihydro-pyridine and cyclo-hexene rings both adopt sofa conformations. The five essentially planar atoms of the dihydro-pyridine ring [maximum deviation = 0.039?(2)?Å] form a dihedral angle of 88.19?(8)° with the benzene ring. The F atoms of the trifluoro-methyl group were refined as disordered over two sets of sites in a 0.840?(3):0.160?(3) ratio. In the crystal, N-H?O and N-H?N hydrogen bonds link mol-ecules into a two-dimensional network parallel to (100).

SUBMITTER: Kant R

PROVIDER: S-EPMC3588344 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro-meth-yl)phen-yl]-1,4,5,6,7,8-hexa-hydro-quinoline-3-carbonitrile.

Kant Rajni R Gupta Vivek K VK Kapoor Kamini K Patil D R DR Mulik A G AG Deshmukh Madhukar B MB

Acta crystallographica. Section E, Structure reports online 20121219 Pt 1

In the title mol-ecule, C19H18F3N3O, the dihydro-pyridine and cyclo-hexene rings both adopt sofa conformations. The five essentially planar atoms of the dihydro-pyridine ring [maximum deviation = 0.039 (2) Å] form a dihedral angle of 88.19 (8)° with the benzene ring. The F atoms of the trifluoro-methyl group were refined as disordered over two sets of sites in a 0.840 (3):0.160 (3) ratio. In the crystal, N-H⋯O and N-H⋯N hydrogen bonds link mol-ecules into a two-dimensional network parallel to (1 ...[more]

PMID: 23476367

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