3-Methylisoxazole-5-carboxylic acid

Sample Originator: Donated Samplea.

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

Structure Determination: Susanne L. Huthb.

Sample kindly provided by Maybridgea
University of Southamptonb



Identification Number:10.5258/ecrystals/370
Date Created:08 June 2007
Deposited On:31 Jan 2008 13:09
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 formulaC5 H5 N O3
Crystal morphologyCut Block
Crystal systemMonoclinic
Space group symbolP2(1)/c
Cell length a6.2391(2)
Cell length b13.8231(5)
Cell length c6.4019(2)
Cell angle alpha90.00
Cell angle beta96.887(2)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0414
R Factor (Obs)0.0424
R Factor (All)0.0461
Weighted R Factor (Obs)0.1120
Weighted R Factor (All)0.1153

Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/370)
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