Crystal structure of (1S,2R,6R,7R,8S,12S)-4,10,17-triphenyl-15-thia-4,10-diazapentacyclo[5.5.5.01,16.02,6.08,12]heptadeca-13,16-diene-3,5,9,11-tetrone p-xylene hemisolvate
| Autor: | Matthew P. Huisenga, Kenneth J. Tritch, Simon B. Lang, Nathan D. Klein, Neil J. Kroll, Wayland E. Noland, Ruixian A. Yue |
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| Jazyk: | angličtina |
| Rok vydání: | 2014 |
| Předmět: |
crystal structure
thiophene Crystallography Autoxidation Diene General Chemistry Crystal structure thiophene Condensed Matter Physics Bioinformatics cycloaddition p-Xylene Medicinal chemistry Toluene Cycloaddition Research Communications chemistry.chemical_compound autoxidation chemistry QD901-999 Thiophene double addition General Materials Science Octene cycloaddition |
| Zdroj: | Acta Crystallographica Section E: Structure Reports Acta Crystallographica Section E, Vol 70, Iss 12, Pp 550-554 (2014) |
| ISSN: | 1600-5368 |
| Popis: | A novel meso bicyclo[2.2.2]octene-based compound was obtained from an attempted Diels–Alder reaction. It crystallizes from p-xylene as a hemisolvate. The title tetrone compound, C32H22N2O4S· 0.5C8H10, is the major product (50% yield) of an attempted Diels–Alder reaction of 2-(α-styryl)thiophene with N-phenylmaleimide (2 equivalents) in toluene. Recrystallization of the resulting powder from p-xylene gave the title hemisolvate; the p-xylene molecule is located about an inversion center. In the crystal, the primary tetrone contacts are between a carbonyl O atom and the four flagpole H atoms of the bicyclo[2.2.2]octene core, forming chains along [001]. |
| Databáze: | OpenAIRE |
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