The crystal structure and conformation of N-[2,2-dimethyl-3-(2-methylpropenyl)-cyclopropylcarbonyl]-5-methylisoxazolin-3-one
The title compound has been synthesized and its crystal structure was determined by X-raycrystallographic method.The crystal is triclinic,space group P-1,with unit cell dimensions a=6.146(5),b=8.473(6),c=14.383(5)(?);a=77.47(4),β=82.84(4),γ=69.00(8)°and Z=2.Theresults obtained reveal that the molecu...
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Veröffentlicht in: | Chinese journal of chemistry 1991-07, Vol.9 (4), p.305-309 |
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Hauptverfasser: | , , , , |
Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | The title compound has been synthesized and its crystal structure was determined by X-raycrystallographic method.The crystal is triclinic,space group P-1,with unit cell dimensions a=6.146(5),b=8.473(6),c=14.383(5)(?);a=77.47(4),β=82.84(4),γ=69.00(8)°and Z=2.Theresults obtained reveal that the molecule of the title compound keeps a long conjugative system in-volving C=C double bond,cyclopropane ring,carbonyl group and isoxazolinone ring and adopts alow energy conformation including s-trans of C=C double bond,s-cis of carbonyl group with respectto the three-membered ring and like-s-trans of carbonyl group with the carbonyl group within theheterocyclic moiety. |
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ISSN: | 1001-604X 1614-7065 |
DOI: | 10.1002/cjoc.19910090403 |