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/1381
Date Created:08 January 2009
Deposited On:30 Mar 2011 17:54
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC8 H8 Br N O
Crystal morphologyLath
Crystal systemMonoclinic
Space group symbolP21/c
Cell length a19.8550(15)
Cell length b5.0020(5)
Cell length c18.3360(16)
Cell angle alpha90.00
Cell angle beta108.655(4)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0453
R Factor (Obs)0.0648
R Factor (All)0.0987
Weighted R Factor (Obs)0.1647
Weighted R Factor (All)0.1914

Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1381)
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