Logo

N-(5-Chloro-pyridin-2-yl)-4-methyl-benzenesulfonamide

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

C12H11ClN2O2S

InChI=1/2C12H11ClN2O2S/c2*1-9-2-5-11(6-3-9)18(16,17)15-12-7-4-10(13)8-14-12/h2*2-8H,1H3,(H,14,15)

Identification Number:10.5258/ecrystals/176
Controlled Keywords:Structural systematics, sulfonamides, sulfur drugs
Date Created:02 May 1999
Deposited On:21 Jan 2008 15:29
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC12 H11 Cl N2 O2 S
Crystal morphology
Crystal systemTriclinic
Space group symbolP-1
Cell length a9.748(2)
Cell length b10.889(2)
Cell length c12.473(2)
Cell angle alpha80.32(3)
Cell angle beta79.02(3)
Cell angle gamma74.54(3)
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0368
R Factor (All)0.0488
Weighted R Factor (Obs)0.0913
Weighted R Factor (All)0.0980

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/176)
Export as: oreChem EndNote BibTeX ASCII Citation

Available Files

Final Result

99scw125.cif16k
99scw125.cml8k

Validation

99scw125_checkcif.htm8k

Refinement

99scw125.res7k
99scw125_xl.lst38k

Solution

99scw125.prp4k

Processing

99scw125.hkl336k

Other Files

99scw125.mol4k
99scw125_ellipsoid.gif25k

Repository Staff Only: item control page