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4-Amino-N-pyridin-2-yl-benzenesulfonamide and 4-methyl-pyridine solvate

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

(C11H11N3O2S) . (C6H7N)

InChI=1/C11H11N3O2S.C6H7N/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;1-6-2-4-7-5-3-6/h1-8H,12H2,(H,13,14);2-5H,1H3

Identification Number:10.5258/ecrystals/160
Controlled Keywords:Structural systematics, sulfonamides, sulfur drugs, co-crystal
Date Created:21 February 1998
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC17 H18 N4 O2 S
Crystal morphology
Crystal systemmonoclinic
Space group symbolP21/c
Cell length a8.252(2)
Cell length b10.535(2)
Cell length c19.923(4)
Cell angle alpha90.00
Cell angle beta99.17(3)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0435
R Factor (All)0.0629
Weighted R Factor (Obs)0.1150
Weighted R Factor (All)0.1297

Citation: Threlfall, Terry L and Coles, Simon J. and Hursthouse, Michael B. and Ward, Suzanna C (1998) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/160)
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Available Files

Final Result

98scw004.cif13k
98scw004.cml6k
98scw004.fcf251k

Validation

98scw004_checkcif.htm8k

Refinement

98scw004.res6k
98scw004_xl.lst29k

Solution

98scw004.prp4k

Processing

98scw004.hkl1094k

Other Files

98scw004.ins5k
98scw004.mol3k
98scw004_ellipsoid.gif21k

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