2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile

In the title mol­ecule, C(19)H(17)F(3)N(2)O(2), the fused cyclo­hexene and pyran rings adopt sofa and flattened boat conformations, respectively. The four essentially planar atoms of the pyran ring [maximum deviation = 0.008 (2) Å] form a dihedral angle of 88.13 (9)° with the benzene ring. The F ato...

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Autores principales: Kant, Rajni, Gupta, Vivek K., Kapoor, Kamini, Patil, D. R., Chandam, D. R., Deshmukh, Madhukar B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588544/
https://www.ncbi.nlm.nih.gov/pubmed/23476593
http://dx.doi.org/10.1107/S1600536813004522
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author Kant, Rajni
Gupta, Vivek K.
Kapoor, Kamini
Patil, D. R.
Chandam, D. R.
Deshmukh, Madhukar B.
author_facet Kant, Rajni
Gupta, Vivek K.
Kapoor, Kamini
Patil, D. R.
Chandam, D. R.
Deshmukh, Madhukar B.
author_sort Kant, Rajni
collection PubMed
description In the title mol­ecule, C(19)H(17)F(3)N(2)O(2), the fused cyclo­hexene and pyran rings adopt sofa and flattened boat conformations, respectively. The four essentially planar atoms of the pyran ring [maximum deviation = 0.008 (2) Å] form a dihedral angle of 88.13 (9)° with the benzene ring. The F atoms of the trifluoro­methyl group were refined as disordered over three sets of sites in a 0.507 (7):0.330 (7):0.163 (3) ratio. In the crystal, mol­ecules are connected into inversion dimers via pairs of N—H⋯N hydrogen bonds and these dimers are further linked by N—H⋯O hydrogen bonds into a two-dimensional network parallel to (100).
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spelling pubmed-35885442013-03-08 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile Kant, Rajni Gupta, Vivek K. Kapoor, Kamini Patil, D. R. Chandam, D. R. Deshmukh, Madhukar B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(19)H(17)F(3)N(2)O(2), the fused cyclo­hexene and pyran rings adopt sofa and flattened boat conformations, respectively. The four essentially planar atoms of the pyran ring [maximum deviation = 0.008 (2) Å] form a dihedral angle of 88.13 (9)° with the benzene ring. The F atoms of the trifluoro­methyl group were refined as disordered over three sets of sites in a 0.507 (7):0.330 (7):0.163 (3) ratio. In the crystal, mol­ecules are connected into inversion dimers via pairs of N—H⋯N hydrogen bonds and these dimers are further linked by N—H⋯O hydrogen bonds into a two-dimensional network parallel to (100). International Union of Crystallography 2013-02-20 /pmc/articles/PMC3588544/ /pubmed/23476593 http://dx.doi.org/10.1107/S1600536813004522 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.
Chandam, D. R.
Deshmukh, Madhukar B.
2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title_full 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title_fullStr 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title_full_unstemmed 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title_short 2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-5,6,7,8-tetra­hydro-4H-chromene-3-carbonitrile
title_sort 2-amino-7,7-dimethyl-5-oxo-4-[3-(trifluoro­meth­yl)phen­yl]-5,6,7,8-tetra­hydro-4h-chromene-3-carbonitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588544/
https://www.ncbi.nlm.nih.gov/pubmed/23476593
http://dx.doi.org/10.1107/S1600536813004522
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