N-[4-(1,4-Dihydro-pyrazin-2-ylsulfamoyl)-phenyl]-acetamide

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

C₁₂H₁₂N₄O₃S

InChI=1/C12H12N4O3S.C12H10N4O3S/c2*1-9(17)15-10-2-4-11(5-3-10)20(18,19)16-12-8-13-6-7-14-12/h2-8,16H,1H3,(H,15,17);1-8,16H,(H,15,17)

Identification Number:	10.5258/ecrystals/171
Controlled Keywords:	Structural systematics, sulfonamides, sulfur drugs
Date Created:	05 November 1999
Deposited On:	21 Jan 2008 15:28
Deposited By:	A.N. Admin

Data collection parameters

Chemical formula	C12 H12 N4 O3 S
Crystal morphology
Crystal system	Triclinic
Space group symbol	P-1
Cell length a	8.422(2)
Cell length b	11.734(2)
Cell length c	14.333(3)
Cell angle alpha	104.74(3)
Cell angle beta	103.07(3)
Cell angle gamma	99.03(3)
Data collection temperature	150(2)

Refinement results

Solution figure of merit
R Factor (Obs)	0.0422
R Factor (All)	0.0551
Weighted R Factor (Obs)	0.1075
Weighted R Factor (All)	0.1162

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/171)
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