The crystal structure and conformation of N-[2,2-dimethyl-3-(2-methylpropenyl)-cyclopropylcarbonyl]-

来源 :Chinese Journal of Chemistry | 被引量 : 0次 | 上传用户:a568420740
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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. The title compound has been synthesized and its crystal structure was determined by X-ray crystallography method. The crystal is triclinic, space group P-1 with unit cell dimensions a = 6.146 (5), b = 8.473 (6), c = 14.383 A = 77.47 (4), β = 82.84 (4), γ = 69.00 (8) ° and Z = 2. The results 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 can alow energy conformation including s-trans of C = C double bond, s-cis of carbonyl group with respect to the three-membered ring and like-s-trans of carbonyl group with the carbonyl group within theheterocyclic moiety.
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