2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbonitrile

In the title mol­ecule, C(19)H(18)F(3)N(3)O, the dihydro­pyridine and cyclo­hexene rings both adopt sofa conformations. The five essentially planar atoms of the dihydro­pyridine ring [maximum deviation = 0.039 (2) Å] form a dihedral angle of 88.19 (8)° with the benzene ring. The F atoms of the trifl...

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Autores principales: Kant, Rajni, Gupta, Vivek K., Kapoor, Kamini, Patil, D. R., Mulik, A. G., Deshmukh, Madhukar B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588344/
https://www.ncbi.nlm.nih.gov/pubmed/23476367
http://dx.doi.org/10.1107/S1600536812050684
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author Kant, Rajni
Gupta, Vivek K.
Kapoor, Kamini
Patil, D. R.
Mulik, A. G.
Deshmukh, Madhukar B.
author_facet Kant, Rajni
Gupta, Vivek K.
Kapoor, Kamini
Patil, D. R.
Mulik, A. G.
Deshmukh, Madhukar B.
author_sort Kant, Rajni
collection PubMed
description In the title mol­ecule, C(19)H(18)F(3)N(3)O, the dihydro­pyridine and cyclo­hexene rings both adopt sofa conformations. The five essentially planar atoms of the dihydro­pyridine ring [maximum deviation = 0.039 (2) Å] form a dihedral angle of 88.19 (8)° with the benzene ring. The F atoms of the trifluoro­methyl 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 mol­ecules into a two-dimensional network parallel to (100).
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spelling pubmed-35883442013-03-08 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbonitrile Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Patil, D. R. Mulik, A. G. Deshmukh, Madhukar B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(19)H(18)F(3)N(3)O, the dihydro­pyridine and cyclo­hexene rings both adopt sofa conformations. The five essentially planar atoms of the dihydro­pyridine ring [maximum deviation = 0.039 (2) Å] form a dihedral angle of 88.19 (8)° with the benzene ring. The F atoms of the trifluoro­methyl 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 mol­ecules into a two-dimensional network parallel to (100). International Union of Crystallography 2012-12-19 /pmc/articles/PMC3588344/ /pubmed/23476367 http://dx.doi.org/10.1107/S1600536812050684 Text en © Kant et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Kant, Rajni
Gupta, Vivek K.
Kapoor, Kamini
Patil, D. R.
Mulik, A. G.
Deshmukh, Madhukar B.
2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbonitrile
title 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbonitrile
title_full 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbonitrile
title_fullStr 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbonitrile
title_full_unstemmed 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbonitrile
title_short 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbonitrile
title_sort 2-amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-1,4,5,6,7,8-hexa­hydro­quinoline-3-carbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588344/
https://www.ncbi.nlm.nih.gov/pubmed/23476367
http://dx.doi.org/10.1107/S1600536812050684
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