Sample Originator: E McDonalda.

Data Collection: Peter N. Hortonb

Structure Determination: Peter N. Hortonb and Michael B. Hursthouseb.

Institute of Cancer Researcha
University of Southamptonb



Identification Number:10.5258/ecrystals/290
Controlled Keywords:organic compounds, heterocycles, hydrogen bonding
Date Created:16 March 2007
Deposited On:19 May 2008 10:59
Deposited By:Dr Peter N Horton

Data collection parameters

Chemical formulaC7 H8 N4 O2
Crystal morphologyNeedle
Crystal systemmonoclinic
Space group symbolP2(1)/n
Cell length a7.8088(4)
Cell length b7.3343(2)
Cell length c13.4110(7)
Cell angle alpha90.00
Cell angle beta104.984(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0358
R Factor (Obs)0.0608
R Factor (All)0.0799
Weighted R Factor (Obs)0.1167
Weighted R Factor (All)0.1287

Citation: McDonald, E and Horton, Peter N. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/290)
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