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Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate

In the title compound, C(21)H(25)NO(3), the hydro­pyridine ring that constitutes a part of the hexa­hydro­quinoline fused-ring system adopts a sofa conformation; the methine C atom deviates from the least-squares plane defined by the remaining five non-H atoms (r.m.s. deviation = 0.088 Å) by 0.454 (...

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Autores principales: Kurbanova, Malahat M., Huseynov, Elnur Z., Gurbanov, Atash V., Maharramov, Abel M., Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394024/
https://www.ncbi.nlm.nih.gov/pubmed/22798889
http://dx.doi.org/10.1107/S1600536812028371
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author Kurbanova, Malahat M.
Huseynov, Elnur Z.
Gurbanov, Atash V.
Maharramov, Abel M.
Ng, Seik Weng
author_facet Kurbanova, Malahat M.
Huseynov, Elnur Z.
Gurbanov, Atash V.
Maharramov, Abel M.
Ng, Seik Weng
author_sort Kurbanova, Malahat M.
collection PubMed
description In the title compound, C(21)H(25)NO(3), the hydro­pyridine ring that constitutes a part of the hexa­hydro­quinoline fused-ring system adopts a sofa conformation; the methine C atom deviates from the least-squares plane defined by the remaining five non-H atoms (r.m.s. deviation = 0.088 Å) by 0.454 (3) Å. The phenyl ring is aligned at 85.5 (1)° with respect to this mean plane. In the crystal, adjacent molecules are linked via an N—H⋯O hydrogen bond, involving the amino group and the carbonyl O atom of the fused-ring system, forming chains running along [100]. The ethyl group is disordered over two positions in a 0.609 (6):0.391 (6) ratio.
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spelling pubmed-33940242012-07-13 Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate Kurbanova, Malahat M. Huseynov, Elnur Z. Gurbanov, Atash V. Maharramov, Abel M. Ng, Seik Weng Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(25)NO(3), the hydro­pyridine ring that constitutes a part of the hexa­hydro­quinoline fused-ring system adopts a sofa conformation; the methine C atom deviates from the least-squares plane defined by the remaining five non-H atoms (r.m.s. deviation = 0.088 Å) by 0.454 (3) Å. The phenyl ring is aligned at 85.5 (1)° with respect to this mean plane. In the crystal, adjacent molecules are linked via an N—H⋯O hydrogen bond, involving the amino group and the carbonyl O atom of the fused-ring system, forming chains running along [100]. The ethyl group is disordered over two positions in a 0.609 (6):0.391 (6) ratio. International Union of Crystallography 2012-06-27 /pmc/articles/PMC3394024/ /pubmed/22798889 http://dx.doi.org/10.1107/S1600536812028371 Text en © Kurbanova et al. 2012 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
Kurbanova, Malahat M.
Huseynov, Elnur Z.
Gurbanov, Atash V.
Maharramov, Abel M.
Ng, Seik Weng
Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_full Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_fullStr Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_full_unstemmed Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_short Ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
title_sort ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexa­hydro­quinoline-3-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394024/
https://www.ncbi.nlm.nih.gov/pubmed/22798889
http://dx.doi.org/10.1107/S1600536812028371
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