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4-Amino-N-(3-methyl-1H-pyridin-2-ylidene)-benzenesulfonamide

Sample Originator: Simon J. Coles, Michael B. Hursthouse, Thomas A. Mayer and Terry L Threlfall.

C12H13N3O2S

InChI=1/C12H13N3O2S/c1-9-3-2-8-14-12(9)15-18(16,17)11-6-4-10(13)5-7-11/h2-8H,13H2,1H3,(H,14,15)

Identification Number:10.5258/ecrystals/178
Controlled Keywords:Structural systematics, sulfonamides, sulfur drugs
Date Created:30 February 2000
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC12 H13 N3 O2 S
Crystal morphology
Crystal systemmonoclinic
Space group symbolC2/c
Cell length a18.175(4)
Cell length b8.1029(16)
Cell length c16.535(3)
Cell angle alpha90.00
Cell angle beta91.08(3)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0374
R Factor (All)0.0471
Weighted R Factor (Obs)0.0979
Weighted R Factor (All)0.1041

Citation: Coles, Simon J. and Hursthouse, Michael B. and Mayer, Thomas A. and Threlfall, Terry L (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/178)
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