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4-Amino-benzenesulfonamide

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

C6H8N2O2S

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

Identification Number:10.5258/ecrystals/170
Controlled Keywords:Structural systematics, sulfonamides, sulfur drugs
Date Created:31 October 1999
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC6 H8 N2 O2 S
Crystal morphology
Crystal systemorthorhombic
Space group symbolPbca
Cell length a14.600(3)
Cell length b5.5720(10)
Cell length c18.483(4)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0339
R Factor (All)0.0426
Weighted R Factor (Obs)0.0892
Weighted R Factor (All)0.0949

Citation: Coles, Simon J. and Hursthouse, Michael B. and Ward, Suzanna C and Threlfall, Terry L (1999) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/170)
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Available Files

Final Result

99scw102.cif10k
99scw102.cml4k

Validation

99scw102_checkcif.htm8k

Refinement

99scw102.res4k
99scw102_xl.lst23k

Solution

99scw102.prp5k

Processing

99scw102.hkl522k

Other Files

99scw102.ins3k
99scw102.mol2k
99scw102_ellipsoid.gif17k

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