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/1377
Date Created:06 March 2009
Deposited On:30 Mar 2011 18:03
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC9 H8 N2 O
Crystal morphologyNeedle
Crystal systemMonoclinic
Space group symbolP21/n
Cell length a7.0527(3)
Cell length b12.7252(6)
Cell length c9.6648(4)
Cell angle alpha90.00
Cell angle beta111.315(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0384
R Factor (Obs)0.0498
R Factor (All)0.0594
Weighted R Factor (Obs)0.1096
Weighted R Factor (All)0.1137

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/1377)
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