2-(4-Amino-benzenesulfonylamino)-3H-thiazol-1-ylium 2-Methyl-imidazolidine solvate
Sample Originator: Simon J. Coles, Michael B. Hursthouse, Thomas A. Mayer and Terry L Threlfall. C13H17N5O2S2 InChI=1/C9H8N3O2S2.C4H9N2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;1-4-5-2-3-6-4/h1-6H,10H2;5-6H,2-3H2,1H3/q+1;
| Identification Number: | 10.5258/ecrystals/194 |
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| Controlled Keywords: | Structural systematics, sulfonamides, sulfur drugs |
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| Date Created: | 12 July 2000 |
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| Deposited On: | 21 Jan 2008 15:29 |
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| Deposited By: | A.N. Admin |
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Data collection parameters| Chemical formula | C13 H17 N5 O2 S2 | | Crystal morphology | | | Crystal system | monoclinic | | Space group symbol | P21/n | | Cell length a | 12.179(2) | | Cell length b | 9.6098(19) | | Cell length c | 13.353(3) | | Cell angle alpha | 90.00 | | Cell angle beta | 101.92(3) | | Cell angle gamma | 90.00 | | Data collection temperature | 150(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0347 | | R Factor (All) | 0.0436 | | Weighted R Factor (Obs) | 0.0863 | | Weighted R Factor (All) | 0.0917 |
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/194)
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