2-(1H-1,2,4-Triazol-1-ylmethyl)benzoic 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/366
Date Created:08 June 2007
Deposited On:31 Jan 2008 13:10
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 formulaC10 H9 N3 O2
Crystal morphologyShard
Crystal systemMonoclinic
Space group symbolC2/c
Cell length a20.4199(5)
Cell length b9.0684(4)
Cell length c13.7141(3)
Cell angle alpha90.00
Cell angle beta132.0700(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0273
R Factor (Obs)0.0495
R Factor (All)0.0721
Weighted R Factor (Obs)0.0927
Weighted R Factor (All)0.1052

Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/366)
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