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Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester
In the title compound, C(25)H(25)NO(5)S, which exhibits metabolism-regulating activity, the 1,4-dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. Molecules in the crystal are assembled into C(6) chains along the a-axis directio...
| Autores principales: | , , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218899/ https://www.ncbi.nlm.nih.gov/pubmed/30443384 http://dx.doi.org/10.1107/S2056989018014251 |
| _version_ | 1783368543107022848 |
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| author | Mishnev, Anatoly Bisenieks, Egils Mandrika, Ilona Petrovska, Ramona Kalme, Zenta Bruvere, Imanta Duburs, Gunars |
| author_facet | Mishnev, Anatoly Bisenieks, Egils Mandrika, Ilona Petrovska, Ramona Kalme, Zenta Bruvere, Imanta Duburs, Gunars |
| author_sort | Mishnev, Anatoly |
| collection | PubMed |
| description | In the title compound, C(25)H(25)NO(5)S, which exhibits metabolism-regulating activity, the 1,4-dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. Molecules in the crystal are assembled into C(6) chains along the a-axis direction via N—H⋯O hydrogen bonds. The thienyl fragment is disordered over two sets of sites in a 0.7220 (19):0.2780 (19) ratio. |
| format | Online Article Text |
| id | pubmed-6218899 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2018 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-62188992018-11-15 Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester Mishnev, Anatoly Bisenieks, Egils Mandrika, Ilona Petrovska, Ramona Kalme, Zenta Bruvere, Imanta Duburs, Gunars Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(25)H(25)NO(5)S, which exhibits metabolism-regulating activity, the 1,4-dihydropyridine ring adopts a flattened boat conformation while the cyclohexenone ring is in an envelope conformation. Molecules in the crystal are assembled into C(6) chains along the a-axis direction via N—H⋯O hydrogen bonds. The thienyl fragment is disordered over two sets of sites in a 0.7220 (19):0.2780 (19) ratio. International Union of Crystallography 2018-10-12 /pmc/articles/PMC6218899/ /pubmed/30443384 http://dx.doi.org/10.1107/S2056989018014251 Text en © Mishnev et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
| spellingShingle | Research Communications Mishnev, Anatoly Bisenieks, Egils Mandrika, Ilona Petrovska, Ramona Kalme, Zenta Bruvere, Imanta Duburs, Gunars Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester |
| title | Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester |
| title_full | Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester |
| title_fullStr | Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester |
| title_full_unstemmed | Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester |
| title_short | Crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester |
| title_sort | crystal structure and metabolic activity of 4-(thien-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylic acid ethoxycarbonylphenylmethylester |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6218899/ https://www.ncbi.nlm.nih.gov/pubmed/30443384 http://dx.doi.org/10.1107/S2056989018014251 |
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