Sample Originator: Terry L Threlfall, Michael B. Hursthouse, Simon J. Coles and Suzanna C Ward.
C6H8N2O2S
InChI=1/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9)
| Identification Number: | 10.5258/ecrystals/158 |
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| Controlled Keywords: | Structural systematics, Sulfonamides, Sulfur drugs |
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| Date Created: | 01 January 1998 |
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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 | C6 H8 N2 O2 S |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | P21/c |
| Cell length a | 8.869(2) |
| Cell length b | 8.915(2) |
| Cell length c | 9.962(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 110.40(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 150(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0322 |
| R Factor (All) | 0.0349 |
| Weighted R Factor (Obs) | 0.0874 |
| Weighted R Factor (All) | 0.0894 |
Citation: Threlfall, Terry L and Hursthouse, Michael B. and Coles, Simon J. and Ward, Suzanna C (1998) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/158)
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