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(1-Methyl-3-phenyl-1H-pyrazol-5-yl)methanol

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

C11H12N2O

InChI=1/C11H12N2O/c1-13-10(8-14)7-11(12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3

Identification Number:10.5258/ecrystals/364
Date Created:08 June 2007
Deposited On:31 Jan 2008 13:11
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 formulaC11 H12 N2 O
Crystal morphologyCut Rod
Crystal systemOrthorhombic
Space group symbolP2(1)2(1)2(1)
Cell length a6.5384(9)
Cell length b7.6439(10)
Cell length c18.418(3)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0343
R Factor (Obs)0.0608
R Factor (All)0.1113
Weighted R Factor (Obs)0.1241
Weighted R Factor (All)0.1420

Citation: Sample, Donated and Huth, Susanne L. and Hursthouse, Michael B. (2007) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/364)
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