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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 (...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3394024 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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