The crystal structure and conformation of N‐[2,2‐dimethyl‐3‐(2‐methylpropenyl)‐ cyclopropylcarbonyl]‐5‐methylisoxazolin‐3‐one

2010 
The title compound has been synthesized and its crystal structure was determined by X-ray crystallographic 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; α = 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 involving CC double bond, cyclopropane ring, carbonyl group and isoxazolinone ring and adopts a low energy conformation including s-trans of CC 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 the heterocyclic moiety.
    • Correction
    • Source
    • Cite
    • Save
    • Machine Reading By IdeaReader
    9
    References
    0
    Citations
    NaN
    KQI
    []