Sample Originator: Donated Samplea.

Data Collection: Susanne L. Huthb and Michael B. Hursthouseb

Structure Determination: Susanne L. Huthb and James Withnellb.

Sample kindly provided by Maybridgea
University of Southamptonb

(C9H10N4) . (H2O)


Identification Number:10.5258/ecrystals/363
Date Created:25 April 2007
Deposited On:31 Jan 2008 13:11
Deposited By:Mrs L. Susanne Coles (née) Huth

Depositor Comments

More information about this compound can be found at: http://www.maybridge.com/

Data collection parameters

Chemical formulaC9 H12 N4 O
Crystal morphologyNeedle
Crystal systemMonoclinic
Space group symbolP2(1)
Cell length a9.3955(5)
Cell length b4.8267(2)
Cell length c10.9702(5)
Cell angle alpha90.00
Cell angle beta104.999(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0330
R Factor (Obs)0.0553
R Factor (All)0.0755
Weighted R Factor (Obs)0.0988
Weighted R Factor (All)0.1107

Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. and Withnell, James (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/363)
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