1-Methyl-1H-indazole-3-carboxylic acid

Sample Originator: Donated Samplea.

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

Structure Determination: Susanne. L. Huthb and J. Withnellb.

Sample kindly provided by Maybridgea
University of Southamptonb



Identification Number:10.5258/ecrystals/284
Date Created:19 February 2007
Deposited On:21 Jan 2008 15:31
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 H8 N2 O2
Crystal morphologyCut Needle
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a7.4546(4)
Cell length b14.7589(9)
Cell length c14.8296(7)
Cell angle alpha90.00
Cell angle beta94.816(3)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0522
R Factor (Obs)0.0772
R Factor (All)0.1186
Weighted R Factor (Obs)0.1413
Weighted R Factor (All)0.1628

Citation: Sample, Donated and Hursthouse, Michael B. and Huth, Susanne. L. and Withnell, J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/284)
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