Sample Originator: Terry L. Threlfalla.

Data Collection: Susanne L. Coles (née Huth)a

Structure Determination: Susanne L. Coles (née Huth)a and Michael B. Hursthousea.

University of Southamptona



Identification Number:10.5258/ecrystals/1361
Date Created:20 July 2008
Deposited On:30 Mar 2011 17:07
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC8 H8 Br N O
Crystal morphologyNeedle
Crystal systemMonoclinic
Space group symbolP21/n
Cell length a4.78080(10)
Cell length b11.9344(5)
Cell length c14.6859(5)
Cell angle alpha90.00
Cell angle beta96.820(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0445
R Factor (Obs)0.0244
R Factor (All)0.0305
Weighted R Factor (Obs)0.0525
Weighted R Factor (All)0.0545

Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1361)
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