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. C9H9N3O2S2 InChI=1/C9H9N3O2S2/c1-7-10-11-9(15-7)12-16(13,14)8-5-3-2-4-6-8/h2-6H,1H3,(H,11,12)
| Identification Number: | 10.5258/ecrystals/190 |
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| Controlled Keywords: | Structural systematics, sulfonamides, sulfur drugs |
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| Date Created: | 30 April 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 | C9 H9 N3 O2 S2 | | Crystal morphology | | | Crystal system | triclinic | | Space group symbol | P-1 | | Cell length a | 6.5117(13) | | Cell length b | 7.9405(16) | | Cell length c | 11.213(2) | | Cell angle alpha | 75.67(3) | | Cell angle beta | 86.60(3) | | Cell angle gamma | 75.93(3) | | Data collection temperature | 293(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0355 | | R Factor (All) | 0.0432 | | Weighted R Factor (Obs) | 0.0951 | | Weighted R Factor (All) | 0.1005 |
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/190)
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