Sample Originator: R. N. Metwally, E. E. -D. M. Salem, A. H. El-Sagheer, J. M. Mellor and Simon J. Coles.



Identification Number:10.5258/ecrystals/78
Controlled Keywords:additions, Grignard reagents, trifluoromethylketones
Date Created:15 April 2000
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Depositor Comments

Benzyl Grignard reagents react with cyclic -alkoxy-,-unsaturated trifluoromethyl ketones by 1,2-addition to afford unsaturated allylic alcohols in high yield. The factors determining the balance between 1,2- and 1,4-addition to unsaturated ketones are discussed. The structures of major and minor products are established by single crystal X-ray diffraction studies.DOI: 10.1016/S0040-4020(00)00976-5

Data collection parameters

Chemical formulaC16 H17 F3 O2
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a9.2288(18)
Cell length b20.362(4)
Cell length c7.6375(15)
Cell angle alpha90.00
Cell angle beta91.00(3)
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit0.0350
R Factor (Obs)0.0571
R Factor (All)0.0860
Weighted R Factor (Obs)0.1599
Weighted R Factor (All)0.1774

Citation: Metwally, R. N. and Salem, E. E. -D. M. and El-Sagheer, A. H. and Mellor, J. M. and Coles, Simon J. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/78)
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