2009src0583 - C12H13NO2

Sample Originator: Peter J. Hollimana.

Data Collection: Peter N. Hortonb and Michael B. Hursthouseb

Structure Determination: Peter N. Hortonb.

University of Wales, Bangora
University of Southamptonb



Identification Number:10.5258/ecrystals/718
Controlled Keywords:aromatic organic compounds, carboxylic acids
Date Created:22 May 2009
Deposited On:26 Jan 2010 11:12
Deposited By:Dr Peter N Horton

Data collection parameters

Chemical formulaC12 H13 N O2
Crystal morphologyCut Slab
Crystal systemorthorhombic
Space group symbolPbcn
Cell length a39.9227(15)
Cell length b8.3170(3)
Cell length c12.9213(5)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0550
R Factor (Obs)0.0711
R Factor (All)0.1007
Weighted R Factor (Obs)0.1292
Weighted R Factor (All)0.1450

Citation: Holliman, Peter J. and Horton, Peter N. and Hursthouse, Michael B. (2009) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/718)
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