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(2R)-[(1S)-2,2-dibromo-1-methylcyclopropyl](hydroxy)ethanenitrile

Sample Originator: Mark S. Bairda.

Data Collection: K.M. Abdul Malikb, Michael B. Hursthousec and Dai E. Hibbsd

Structure Determination: K.M. Abdul Malikb and Steven J. Lamondc.

University of Wales, Bangora
University of Cardiffb
University of Southamptonc
University of Sydneyd

C6H7NOBr2

InChI=1/C6H7Br2NO/c1-5(4(10)2-9)3-6(5,7)8/h4,10H,3H2,1H3/t4-,5-/m0/s1

Identification Number:10.5258/ecrystals/1036
Controlled Keywords:cyanides
Date Created:24 August 1994
Deposited On:14 Aug 2013 23:31
Deposited By:Mr Steve Lamond

Data collection parameters

Chemical formulaC6 H7 Br2 N O
Crystal morphology
Crystal systemmonoclinic
Space group symbolP2(1)/c
Cell length a14.447(3)
Cell length b6.624(4)
Cell length c9.490(3)
Cell angle alpha90.00
Cell angle beta108.59(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0391
R Factor (All)0.0532
Weighted R Factor (Obs)0.0931
Weighted R Factor (All)0.1006

Citation: Baird, Mark S. and Malik, K.M. Abdul and Hursthouse, Michael B. and Hibbs, Dai E. and Lamond, Steven J. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1036)
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