Crystal structure of ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
In the title racemic compound, ethyl 4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, the common structural features in this type of compound, such as the flat-boat conformation of the 1,4-dihydropyridine (1,4-DHP) ring, the envelope conformation of the f...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2018-10-01
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| Series: | Acta Crystallographica Section E: Crystallographic Communications |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2056989018011982 |
| _version_ | 1828130448111304704 |
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| author | Scott A. Steiger Chun Li Nicholas R. Natale |
| author_facet | Scott A. Steiger Chun Li Nicholas R. Natale |
| author_sort | Scott A. Steiger |
| collection | DOAJ |
| description | In the title racemic compound, ethyl 4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, the common structural features in this type of compound, such as the flat-boat conformation of the 1,4-dihydropyridine (1,4-DHP) ring, the envelope conformation of the fused cyclohexanone, and the substituted phenyl ring at the pseudo-axial position and orthogonal to the 1,4-DHP ring, are present. In the crystal, molecules are linked via N—H...O and C—H...O hydrogen bonds, forming layers parallel to the (10\overline1) plane. |
| first_indexed | 2024-04-11T16:34:18Z |
| format | Article |
| id | doaj.art-ee740c5bd8cb448aae29b4ee094904d1 |
| institution | Directory Open Access Journal |
| issn | 2056-9890 |
| language | English |
| last_indexed | 2024-04-11T16:34:18Z |
| publishDate | 2018-10-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E: Crystallographic Communications |
| spelling | doaj.art-ee740c5bd8cb448aae29b4ee094904d12022-12-22T04:13:54ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902018-10-0174101417142010.1107/S2056989018011982ds2251Crystal structure of ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateScott A. Steiger0Chun Li1Nicholas R. Natale2Department of Biomedical and Pharmaceutical Sciences, The University of Montana, 32 Campus Drive, Missoula, MT 59812, USADepartment of Chemistry, Ithaca College, 953 Danby Road, Ithaca, NY 14850, USADepartment of Biomedical and Pharmaceutical Sciences, The University of Montana, 32 Campus Drive, Missoula, MT 59812, USAIn the title racemic compound, ethyl 4-(4-dimethylaminophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, the common structural features in this type of compound, such as the flat-boat conformation of the 1,4-dihydropyridine (1,4-DHP) ring, the envelope conformation of the fused cyclohexanone, and the substituted phenyl ring at the pseudo-axial position and orthogonal to the 1,4-DHP ring, are present. In the crystal, molecules are linked via N—H...O and C—H...O hydrogen bonds, forming layers parallel to the (10\overline1) plane.http://scripts.iucr.org/cgi-bin/paper?S2056989018011982crystal structurestructure-activity relationshipscalcium-channel antagonists4-aryl-hexahydroquinolines1,4-dihydropyridine ringshydrogen bonding |
| spellingShingle | Scott A. Steiger Chun Li Nicholas R. Natale Crystal structure of ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate Acta Crystallographica Section E: Crystallographic Communications crystal structure structure-activity relationships calcium-channel antagonists 4-aryl-hexahydroquinolines 1,4-dihydropyridine rings hydrogen bonding |
| title | Crystal structure of ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| title_full | Crystal structure of ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| title_fullStr | Crystal structure of ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| title_full_unstemmed | Crystal structure of ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| title_short | Crystal structure of ethyl 4-[4-(dimethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| title_sort | crystal structure of ethyl 4 4 dimethylamino phenyl 2 7 7 trimethyl 5 oxo 1 4 5 6 7 8 hexahydroquinoline 3 carboxylate |
| topic | crystal structure structure-activity relationships calcium-channel antagonists 4-aryl-hexahydroquinolines 1,4-dihydropyridine rings hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2056989018011982 |
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