Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
In the title compound, C16H21N3O4, the 1,4-dihydropyridine ring adopts a flattened boat conformation, with the imidazole substituent in an axial orientation [dihedral angle between ring planes = 82.9 (6)°]. In the crystal structure, pairs of N—H...O and N—H...N hydrogen bonds with graph-set notation...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2020-01-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314620000346 |
| _version_ | 1818360009414672384 |
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| author | Miri Yoo Dongsoo Koh |
| author_facet | Miri Yoo Dongsoo Koh |
| author_sort | Miri Yoo |
| collection | DOAJ |
| description | In the title compound, C16H21N3O4, the 1,4-dihydropyridine ring adopts a flattened boat conformation, with the imidazole substituent in an axial orientation [dihedral angle between ring planes = 82.9 (6)°]. In the crystal structure, pairs of N—H...O and N—H...N hydrogen bonds with graph-set notation R22(14) connect the molecules into chains running along the c-axis direction. |
| first_indexed | 2024-12-13T20:53:58Z |
| format | Article |
| id | doaj.art-f9d69ef87bcd403cb854b8ef013727f3 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-12-13T20:53:58Z |
| publishDate | 2020-01-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-f9d69ef87bcd403cb854b8ef013727f32022-12-21T23:31:49ZengInternational Union of CrystallographyIUCrData2414-31462020-01-0151x20003410.1107/S2414314620000346bt4088Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateMiri Yoo0Dongsoo Koh1Department of Applied Chemistry, Dongduk Women's University, Seoul 136-714, Republic of KoreaDepartment of Applied Chemistry, Dongduk Women's University, Seoul 136-714, Republic of KoreaIn the title compound, C16H21N3O4, the 1,4-dihydropyridine ring adopts a flattened boat conformation, with the imidazole substituent in an axial orientation [dihedral angle between ring planes = 82.9 (6)°]. In the crystal structure, pairs of N—H...O and N—H...N hydrogen bonds with graph-set notation R22(14) connect the molecules into chains running along the c-axis direction.http://scripts.iucr.org/cgi-bin/paper?S2414314620000346crystal structure1,4-dihydropyridinen—h...o hydrogen bondsn—h...n hydrogen bonds |
| spellingShingle | Miri Yoo Dongsoo Koh Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate IUCrData crystal structure 1,4-dihydropyridine n—h...o hydrogen bonds n—h...n hydrogen bonds |
| title | Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| title_full | Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| title_fullStr | Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| title_full_unstemmed | Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| title_short | Diethyl 4-(1H-imidazol-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
| title_sort | diethyl 4 1h imidazol 2 yl 2 6 dimethyl 1 4 dihydropyridine 3 5 dicarboxylate |
| topic | crystal structure 1,4-dihydropyridine n—h...o hydrogen bonds n—h...n hydrogen bonds |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314620000346 |
| work_keys_str_mv | AT miriyoo diethyl41himidazol2yl26dimethyl14dihydropyridine35dicarboxylate AT dongsookoh diethyl41himidazol2yl26dimethyl14dihydropyridine35dicarboxylate |