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4-Amino-benzenesulfonamide

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

C6H8N2O2S

InChI=1/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9)

Identification Number:10.5258/ecrystals/158
Controlled Keywords:Structural systematics, Sulfonamides, Sulfur drugs
Date Created:01 January 1998
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC6 H8 N2 O2 S
Crystal morphology
Crystal systemmonoclinic
Space group symbolP21/c
Cell length a8.869(2)
Cell length b8.915(2)
Cell length c9.962(2)
Cell angle alpha90.00
Cell angle beta110.40(3)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0322
R Factor (All)0.0349
Weighted R Factor (Obs)0.0874
Weighted R Factor (All)0.0894

Citation: Threlfall, Terry L and Hursthouse, Michael B. and Coles, Simon J. and Ward, Suzanna C (1998) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/158)
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Available Files

Final Result

98scw003.cif10k
98scw003.cml4k

Validation

98scw003_checkcif.htm9k

Refinement

98scw003.res4k
98scw003_xl.lst24k

Processing

98scw003.hkl398k

Other Files

98scw003.ins3k
98scw003.mol2k
98scw003_ellipsoid.gif17k

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