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N-[4-(1,4-Dihhydro-pyrazin-2-ylsulfamoyl]-acetamide

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

C12H12N4O3S

InChI=1/2C12H12N4O3S/c2*1-9(17)15-10-2-4-11(5-3-10)20(18,19)16-12-8-13-6-7-14-12/h2*2-8,16H,1H3,(H,15,17)

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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