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N-(5-Chloro-pyridin-2-yl)-benzenesulfonamide

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

C11H9ClN2O2S

InChI=1/2C11H9ClN2O2S/c2*12-9-6-7-11(13-8-9)14-17(15,16)10-4-2-1-3-5-10/h2*1-8H,(H,13,14)

Identification Number:10.5258/ecrystals/172
Controlled Keywords:Structural systematics, sulfonamides, sulfur drugs
Date Created:25 December 1999
Deposited On:21 Jan 2008 15:29
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC11 H9 Cl N2 O2 S
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a9.643(2)
Cell length b11.069(2)
Cell length c11.162(2)
Cell angle alpha93.35(3)
Cell angle beta102.12(3)
Cell angle gamma98.20(3)
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0366
R Factor (All)0.0501
Weighted R Factor (Obs)0.0867
Weighted R Factor (All)0.0933

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/172)
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Available Files

Final Result

99scw106.cif15k
99scw106.cml8k

Validation

99scw106_checkcif.htm9k

Refinement

99scw106.res7k
99scw106_xl.lst37k

Solution

99scw106.prp4k

Processing

99scw106.hkl412k

Other Files

99scw106.ins6k
99scw106.mol4k
99scw106_ellipsoid.gif17k

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