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
Hauptverfasser: Xue, Jie-You, Shao, Rui-Lian, Zhu, You-Quan, Yao, Xin-Kan, Wang, Hong-Gen
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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.
ISSN:1001-604X
1614-7065
DOI:10.1002/cjoc.19910090403