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1-Methyl-1H-indole-6-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

C10H9NO2

InChI=1/C10H9NO2/c1-11-5-4-7-2-3-8(10(12)13)6-9(7)11/h2-6H,1H3,(H,12,13)

Identification Number:10.5258/ecrystals/368
Date Created:06 July 2007
Deposited On:31 Jan 2008 13:05
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 N O2
Crystal morphologyCut Rod
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a7.3989(3)
Cell length b11.2007(4)
Cell length c20.2402(7)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0634
R Factor (Obs)0.0465
R Factor (All)0.0678
Weighted R Factor (Obs)0.1091
Weighted R Factor (All)0.1212

Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/368)
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