4-acetamidobenzoic acid

Sample Originator: Terry L. Threlfalla.

Data Collection: Susanne L. Coles (née Huth)a

Structure Determination: Susanne L. Coles (née Huth)a and Michael B. Hursthousea.

University of Southamptona



Identification Number:10.5258/ecrystals/1390
Date Created:21 June 2008
Deposited On:30 Mar 2011 22:02
Deposited By:Mrs L. Susanne Coles (née) Huth

Data collection parameters

Chemical formulaC9 H9 N O3
Crystal morphologyPlate
Crystal systemTriclinic
Space group symbolP-1
Cell length a5.0214(3)
Cell length b6.8411(5)
Cell length c12.2219(10)
Cell angle alpha89.465(4)
Cell angle beta80.477(4)
Cell angle gamma79.234(4)
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0332
R Factor (Obs)0.0640
R Factor (All)0.0995
Weighted R Factor (Obs)0.1275
Weighted R Factor (All)0.1473

Citation: Coles (née Huth), Susanne L. and Threlfall, Terry L. and Hursthouse, Michael B. (2008) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1390)
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