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dl-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
In the title compound, C(21)H(25)NO(4), the dihydropyridine ring adopts a flattened boat conformation. The N atom and the sp (3) C atom deviate in the same direction from the mean plane of the other four C atoms, by 0.269 (6) and 0.111 (6) Å, respectively. This mean plane is inclined to the 4-methox...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2012
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295513/ https://www.ncbi.nlm.nih.gov/pubmed/22412624 http://dx.doi.org/10.1107/S1600536812005892 |
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author | Zhao, Jing-Min |
author_facet | Zhao, Jing-Min |
author_sort | Zhao, Jing-Min |
collection | PubMed |
description | In the title compound, C(21)H(25)NO(4), the dihydropyridine ring adopts a flattened boat conformation. The N atom and the sp (3) C atom deviate in the same direction from the mean plane of the other four C atoms, by 0.269 (6) and 0.111 (6) Å, respectively. This mean plane is inclined to the 4-methoxyphenyl ring by 87.3 (5)°. The cyclohexenone ring has a sofa conformation with the C atom bearing the methyl groups deviating from the mean plane through the other five C atoms by 0.628 (6) Å. There is a short C—H⋯O hydrogen bond in the molecule. In the crystal, molecules are linked by an N—H⋯O hydrogen bond to form chains propagating along the c-axis direction. |
format | Online Article Text |
id | pubmed-3295513 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-32955132012-03-12 dl-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate Zhao, Jing-Min Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(21)H(25)NO(4), the dihydropyridine ring adopts a flattened boat conformation. The N atom and the sp (3) C atom deviate in the same direction from the mean plane of the other four C atoms, by 0.269 (6) and 0.111 (6) Å, respectively. This mean plane is inclined to the 4-methoxyphenyl ring by 87.3 (5)°. The cyclohexenone ring has a sofa conformation with the C atom bearing the methyl groups deviating from the mean plane through the other five C atoms by 0.628 (6) Å. There is a short C—H⋯O hydrogen bond in the molecule. In the crystal, molecules are linked by an N—H⋯O hydrogen bond to form chains propagating along the c-axis direction. International Union of Crystallography 2012-02-17 /pmc/articles/PMC3295513/ /pubmed/22412624 http://dx.doi.org/10.1107/S1600536812005892 Text en © Jing-Min Zhao 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 Zhao, Jing-Min dl-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title |
dl-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title_full |
dl-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title_fullStr |
dl-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title_full_unstemmed |
dl-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title_short |
dl-Methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
title_sort | dl-methyl 4-(4-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295513/ https://www.ncbi.nlm.nih.gov/pubmed/22412624 http://dx.doi.org/10.1107/S1600536812005892 |
work_keys_str_mv | AT zhaojingmin dlmethyl44methoxyphenyl277trimethyl5oxo145678hexahydroquinoline3carboxylate |