3-Amino-2-methyl-2,7-dihydro-pyrazolo[4,3-c]pyridine-4,6-dione; hydrate

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

(C7H8N4O2) . (H2O)


Identification Number:10.5258/ecrystals/353
Controlled Keywords:heterocycles, hydrates, organic compounds
Date Created:25 October 2007
Deposited On:19 May 2008 11:18
Deposited By:Dr Peter N Horton

Data collection parameters

Chemical formulaC7 H10 N4 O3
Crystal morphologyBlock
Crystal systemmonoclinic
Space group symbolP2(1)/n
Cell length a8.5795(3)
Cell length b8.5965(2)
Cell length c11.4708(3)
Cell angle alpha90.00
Cell angle beta98.957(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0497
R Factor (Obs)0.0349
R Factor (All)0.0423
Weighted R Factor (Obs)0.0879
Weighted R Factor (All)0.0937

Citation: McDonald, E and Horton, Peter N. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/353)
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