Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate
In the title compound, C27H32BrNO5, the central 1,4-dihydropyridine ring adopts a shallow sofa conformation (with the C atom bearing the bromophenol ring as the flap), whereas the pendant cyclohexene rings both have twisted-boat conformations. The molecule features an intramolecular O—H...O hydrogen...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2017-04-01
|
| Series: | IUCrData |
| Subjects: | |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314617005739 |
| _version_ | 1811259307823464448 |
|---|---|
| author | Shaaban K. Mohamed Necmi Dege Mehmet Akkurt Omyma A. Abd Allah Mustafa R. Albayati |
| author_facet | Shaaban K. Mohamed Necmi Dege Mehmet Akkurt Omyma A. Abd Allah Mustafa R. Albayati |
| author_sort | Shaaban K. Mohamed |
| collection | DOAJ |
| description | In the title compound, C27H32BrNO5, the central 1,4-dihydropyridine ring adopts a shallow sofa conformation (with the C atom bearing the bromophenol ring as the flap), whereas the pendant cyclohexene rings both have twisted-boat conformations. The molecule features an intramolecular O—H...O hydrogen bond, which closes an S(8) ring. In the crystal, molecules are linked by C—H...O interactions, forming C(12) chains along the c-axis direction. The ethyl acetate grouping is disordered over two sets of sites in a 0.719 (11):0.281 (11) ratio. |
| first_indexed | 2024-04-12T18:28:29Z |
| format | Article |
| id | doaj.art-a80be2fd953b44248a42c72afaecd045 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-04-12T18:28:29Z |
| publishDate | 2017-04-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-a80be2fd953b44248a42c72afaecd0452022-12-22T03:21:09ZengInternational Union of CrystallographyIUCrData2414-31462017-04-0124x17057310.1107/S2414314617005739hb4135Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetateShaaban K. Mohamed0Necmi Dege1Mehmet Akkurt2Omyma A. Abd Allah3Mustafa R. Albayati4Chemistry and Environmental Division, Manchester Metropolitan University, Manchester M1 5GD, EnglandUniversity of Ondokuzmayıs, Science Faculty, Department of Physics, Samsun, TurkeyDepartment of Physics, Faculty of Sciences, Erciyes University, 38039 Kayseri, TurkeyChemistry Department, Faculty of Science, Sohag University, 82524 Sohag, EgyptKirkuk University, College of Education, Department of Chemistry, Kirkuk, IraqIn the title compound, C27H32BrNO5, the central 1,4-dihydropyridine ring adopts a shallow sofa conformation (with the C atom bearing the bromophenol ring as the flap), whereas the pendant cyclohexene rings both have twisted-boat conformations. The molecule features an intramolecular O—H...O hydrogen bond, which closes an S(8) ring. In the crystal, molecules are linked by C—H...O interactions, forming C(12) chains along the c-axis direction. The ethyl acetate grouping is disordered over two sets of sites in a 0.719 (11):0.281 (11) ratio.http://scripts.iucr.org/cgi-bin/paper?S2414314617005739crystal structureacridinesacetic acidhydrogen bondingsofa conformationdisorder |
| spellingShingle | Shaaban K. Mohamed Necmi Dege Mehmet Akkurt Omyma A. Abd Allah Mustafa R. Albayati Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate IUCrData crystal structure acridines acetic acid hydrogen bonding sofa conformation disorder |
| title | Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate |
| title_full | Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate |
| title_fullStr | Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate |
| title_full_unstemmed | Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate |
| title_short | Ethyl 2-[9-(5-bromo-2-hydroxyphenyl)-3,3,6,6-tetramethyl-1,8-dioxo-1,2,3,4,5,6,7,8,9,10-decahydroacridin-10-yl]acetate |
| title_sort | ethyl 2 9 5 bromo 2 hydroxyphenyl 3 3 6 6 tetramethyl 1 8 dioxo 1 2 3 4 5 6 7 8 9 10 decahydroacridin 10 yl acetate |
| topic | crystal structure acridines acetic acid hydrogen bonding sofa conformation disorder |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314617005739 |
| work_keys_str_mv | AT shaabankmohamed ethyl295bromo2hydroxyphenyl3366tetramethyl18dioxo12345678910decahydroacridin10ylacetate AT necmidege ethyl295bromo2hydroxyphenyl3366tetramethyl18dioxo12345678910decahydroacridin10ylacetate AT mehmetakkurt ethyl295bromo2hydroxyphenyl3366tetramethyl18dioxo12345678910decahydroacridin10ylacetate AT omymaaabdallah ethyl295bromo2hydroxyphenyl3366tetramethyl18dioxo12345678910decahydroacridin10ylacetate AT mustafaralbayati ethyl295bromo2hydroxyphenyl3366tetramethyl18dioxo12345678910decahydroacridin10ylacetate |