C~14~H~13~NO~3~S - C14H13NO3S

Sample Originator: Chris D. Gabbutta.

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

Structure Determination: Peter N. Hortonb.

University of Leedsa
University of Southamptonb



Controlled Keywords:heterocycles
Date Created:07 May 2003
Deposited On:16 Feb 2010 14:52
Deposited By:Mr Steve Lamond

Depositor Comments

All hydrogen atoms were fixed.

Data collection parameters

Chemical formulaC14 H13 N O3 S
Crystal morphology
Crystal systemMonoclinic
Space group symbolP2(1)/n
Cell length a9.8330(2)
Cell length b9.9814(3)
Cell length c13.8500(4)
Cell angle alpha90.00
Cell angle beta108.9040(10)
Cell angle gamma90.00
Data collection temperature120(2)

Refinement results

Solution figure of merit0.0815
R Factor (Obs)0.0409
R Factor (All)0.0504
Weighted R Factor (Obs)0.0982
Weighted R Factor (All)0.1035

Citation: Gabbutt, Chris D. and Horton, Peter N. and Hursthouse, Michael B. (2003) University of Southampton, Crystal Structure Report Archive. (http://ecrystals.chem.soton.ac.uk/1119/)
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