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p-acetoamidobenzenesulfonamide-5-chloropyridine

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

C13H12ClN3O3S

InChI=1/C13H12ClN3O3S/c1-9(18)16-11-3-5-12(6-4-11)21(19,20)17-13-7-2-10(14)8-15-13/h2-8H,1H3,(H,15,17)(H,16,18)

Identification Number:10.5258/ecrystals/164
Controlled Keywords:Structural systematics, sulfonamides, sulfur drugs
Date Created:10 April 1999
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC13 H12 Cl N3 O3 S
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a7.879(2)
Cell length b9.393(2)
Cell length c10.085(2)
Cell angle alpha90.01(3)
Cell angle beta108.24(3)
Cell angle gamma103.77(3)
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0313
R Factor (All)0.0340
Weighted R Factor (Obs)0.0782
Weighted R Factor (All)0.0806

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/164)
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Available Files

Final Result

99scw114.cif12k
99scw114.cml5k

Validation

99scw114_checkcif.htm8k

Refinement

99scw114.res5k
99scw114_xl.lst29k

Solution

99scw114.prp4k

Processing

99scw114.hkl244k

Other Files

99scw114.mol3k
99scw114_ellipsoid.gif16k

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