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4-Amino-N-(1H-pyridin-2-ylidene)-benzenesulfonamide and tetrahydro-furan solvate

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

(C11H11N3O2S) . (C4H8O)

InChI=1/C11H11N3O2S.C4H8O/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;1-2-4-5-3-1/h1-8H,12H2,(H,13,14);1-4H2

Identification Number:10.5258/ecrystals/183
Controlled Keywords:Structural systematics, sulfonamides, sulfur drugs, co-crystal
Date Created:07 August 2000
Deposited On:21 Jan 2008 15:28
Deposited By:A.N. Admin

Data collection parameters

Chemical formulaC15 H19 N3 O3 S
Crystal morphology
Crystal systemmonoclinic
Space group symbolP21/c
Cell length a10.970(2)
Cell length b12.766(3)
Cell length c11.500(2)
Cell angle alpha90.00
Cell angle beta107.27(3)
Cell angle gamma90.00
Data collection temperature150(2)

Refinement results

Solution figure of merit
R Factor (Obs)0.0419
R Factor (All)0.0560
Weighted R Factor (Obs)0.1050
Weighted R Factor (All)0.1142

Citation: Threlfall, Terry L and Coles, Simon J. and Hursthouse, Michael B. and Mayer, Thomas A. (2000) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/183)
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Available Files

Final Result

00tam016.cif13k
00tam016.cml6k
00tam016.fcf168k

Validation

00tam016_checkcif.htm8k

Refinement

00tam016.res6k

Solution

00tam016.prp4k

Processing

00tam016.hkl329k
00tam016.htm5k

Other Files

00tam016.ins5k
00tam016.mol3k
00tam016_ellipsoid.gif21k

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