2-Hydroxy-benzoic acid nicotinamide

Sample Originator: D Berrya and N Blagdena.

Data Collection: Simon J. Colesb

Structure Determination: Michael B. Hursthouseb and Simon J. Colesb.

University of Bradforda
University of Southamptonb

(C6H6N2O) . (C7H6O3)


Identification Number:10.5258/ecrystals/295
Date Created:16 March 2007
Deposited On:21 Jan 2008 15:30
Deposited By:Dr Simon J Coles

Data collection parameters

Chemical formulaC13 H12 N2 O4
Crystal morphologyBlade
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a11.0751(2)
Cell length b4.94410(10)
Cell length c22.8470(5)
Cell angle alpha90.00
Cell angle beta97.5560(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0344
R Factor (Obs)0.0461
R Factor (All)0.0652
Weighted R Factor (Obs)0.1109
Weighted R Factor (All)0.1226

Citation: Berry, D and Blagden, N and Coles, Simon J. and Hursthouse, Michael B. and Coles, Simon J. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/295)
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