4-Methyl-N-(5-methyl-3H-[1,3,4]thiadiazol-2-ylidene)-benzenesulfonamide
Sample Originator: Simon J. Coles, Michael B. Hursthouse, Thomas A. Mayer and Terry L Threlfall. C10H11N3O2S2 InChI=1/C10H11N3O2S2/c1-7-3-5-9(6-4-7)17(14,15)13-10-12-11-8(2)16-10/h3-6H,1-2H3,(H,12,13)
| Identification Number: | 10.5258/ecrystals/195 |
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| Controlled Keywords: | Structural systematics, sulfonamides, sulfur drugs |
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| Date Created: | 21 August 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 | C10 H11 N3 O2 S2 | | Crystal morphology | | | Crystal system | triclinic | | Space group symbol | P-1 | | Cell length a | 6.2197(12) | | Cell length b | 8.1201(16) | | Cell length c | 12.208(2) | | Cell angle alpha | 103.18(3) | | Cell angle beta | 91.76(3) | | Cell angle gamma | 104.15(3) | | Data collection temperature | 150(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0369 | | R Factor (All) | 0.0540 | | Weighted R Factor (Obs) | 0.0908 | | Weighted R Factor (All) | 0.1054 |
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/195)
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