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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,7H2,(H2,8,9,10)

Identification Number:10.5258/ecrystals/173
Controlled Keywords:Structural systematics, sulfonamides, sulfur drugs
Date Created:10 January 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 a14.7840(10)
Cell length b5.670(3)
Cell length c18.492(4)
Cell angle alpha90.00
Cell angle beta90.00
Cell angle gamma90.00
Data collection temperature293(2)

Refinement results

Solution figure of merit
R Factor (Obs)
R Factor (All)0.0594
Weighted R Factor (Obs)
Weighted R Factor (All)

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/173)
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Available Files

Final Result

99awd007.cif10k
99awd007.cml4k

Validation

99awd007_checkcif.htm10k

Refinement

99awd007.res4k
99awd007_xl.lst1k

Solution

99awd007.prp4k

Processing

99awd007.hkl355k

Other Files

99awd007.ins3k
99awd007.mol2k
99awd007_ellipsoid.gif19k

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