2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro-1H-1,3-oxazolo[3,4-a]pyridin-3-yl}phenol
In the title mefloquine–oxazolidine derivative, C24H20F6N2O2, the oxazoline ring adopts an envelope conformation (the flap atom is N) and the piperidine ring has a chair conformation. The oxazoline and benzene residues lie away from the C6 ring of the quinoline group and, to a first ap...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2011-07-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536811022379 |
| _version_ | 1818286141598597120 |
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| author | Raoni S. B. Gonçalves Carlos R. Kaiser Marcus V. N. de Souza James L. Wardell Solange M. S. V. Wardell Edward R. T. Tiekink |
| author_facet | Raoni S. B. Gonçalves Carlos R. Kaiser Marcus V. N. de Souza James L. Wardell Solange M. S. V. Wardell Edward R. T. Tiekink |
| author_sort | Raoni S. B. Gonçalves |
| collection | DOAJ |
| description | In the title mefloquine–oxazolidine derivative, C24H20F6N2O2, the oxazoline ring adopts an envelope conformation (the flap atom is N) and the piperidine ring has a chair conformation. The oxazoline and benzene residues lie away from the C6 ring of the quinoline group and, to a first approximation, to one side of the plane through the ten atoms (r.m.s. deviation = 0.025 Å). An intramolecular O—H...N(piperidine) hydrogen bond is present. The crystal packing features C—H...O, C—H...F and C—H...π(hydroxybenzene) interactions. |
| first_indexed | 2024-12-13T01:19:53Z |
| format | Article |
| id | doaj.art-9671779290c44cea84b0d4da4d3a9a62 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T01:19:53Z |
| publishDate | 2011-07-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-9671779290c44cea84b0d4da4d3a9a622022-12-22T00:04:15ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682011-07-01677o1656o165710.1107/S16005368110223792-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro-1H-1,3-oxazolo[3,4-a]pyridin-3-yl}phenolRaoni S. B. GonçalvesCarlos R. KaiserMarcus V. N. de SouzaJames L. WardellSolange M. S. V. WardellEdward R. T. TiekinkIn the title mefloquine–oxazolidine derivative, C24H20F6N2O2, the oxazoline ring adopts an envelope conformation (the flap atom is N) and the piperidine ring has a chair conformation. The oxazoline and benzene residues lie away from the C6 ring of the quinoline group and, to a first approximation, to one side of the plane through the ten atoms (r.m.s. deviation = 0.025 Å). An intramolecular O—H...N(piperidine) hydrogen bond is present. The crystal packing features C—H...O, C—H...F and C—H...π(hydroxybenzene) interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536811022379 |
| spellingShingle | Raoni S. B. Gonçalves Carlos R. Kaiser Marcus V. N. de Souza James L. Wardell Solange M. S. V. Wardell Edward R. T. Tiekink 2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro-1H-1,3-oxazolo[3,4-a]pyridin-3-yl}phenol Acta Crystallographica Section E |
| title | 2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro-1H-1,3-oxazolo[3,4-a]pyridin-3-yl}phenol |
| title_full | 2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro-1H-1,3-oxazolo[3,4-a]pyridin-3-yl}phenol |
| title_fullStr | 2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro-1H-1,3-oxazolo[3,4-a]pyridin-3-yl}phenol |
| title_full_unstemmed | 2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro-1H-1,3-oxazolo[3,4-a]pyridin-3-yl}phenol |
| title_short | 2-{1-[2,8-Bis(trifluoromethyl)quinolin-4-yl]-3,5,6,7,8,8a-hexahydro-1H-1,3-oxazolo[3,4-a]pyridin-3-yl}phenol |
| title_sort | 2 1 2 8 bis trifluoromethyl quinolin 4 yl 3 5 6 7 8 8a hexahydro 1h 1 3 oxazolo 3 4 a pyridin 3 yl phenol |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536811022379 |
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