2-(4-Amino-benzenesulfonylamino)-3H-thiazol-1-ylium and pyridine solvate
Sample Originator: Simon J. Coles, Michael B. Hursthouse, Thomas A. Mayer and Terry L Threlfall. (C9H9S2O2N3) . (C5H5N) InChI=1/C9H9N3O2S2.C5H5N/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;1-2-4-6-5-3-1/h1-6,11H,10H2;1-5H/q+1;
| Identification Number: | 10.5258/ecrystals/184 |
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| Controlled Keywords: | Structural systematics, sulfonamides, sulfur drugs, co-crystal |
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| Date Created: | 25 May 2000 |
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| Deposited On: | 21 Jan 2008 15:28 |
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| Deposited By: | A.N. Admin |
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Data collection parameters| Chemical formula | C14 H14 N4 O2 S2 | | Crystal morphology | | | Crystal system | tetragonal | | Space group symbol | P41 | | Cell length a | 8.6514(12) | | Cell length b | 8.6514(12) | | Cell length c | 20.538(4) | | Cell angle alpha | 90.00 | | Cell angle beta | 90.00 | | Cell angle gamma | 90.00 | | Data collection temperature | 150(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0310 | | R Factor (All) | 0.0353 | | Weighted R Factor (Obs) | 0.0714 | | Weighted R Factor (All) | 0.0747 |
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/184)
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