Sample Originator: Terry L Threlfall, Simon J. Coles, Suzanna C Ward and Michael B. Hursthouse.



Identification Number:10.5258/ecrystals/168
Controlled Keywords:Structural systematics, sulfonamides, sulfur drugs
Date Created:07 August 1999
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC12 H12 N4 O3 S
Crystal morphology
Crystal systemtriclinic
Space group symbolP-1
Cell length a8.453(2)
Cell length b11.809(2)
Cell length c14.541(3)
Cell angle alpha104.79(3)
Cell angle beta104.05(3)
Cell angle gamma98.40(3)
Data collection temperature320(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0482
R Factor (All)0.0954
Weighted R Factor (Obs)0.1049
Weighted R Factor (All)0.1245

Citation: Threlfall, Terry L and Coles, Simon J. and Ward, Suzanna C and Hursthouse, Michael B. (1999) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/168)
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