N-[4-(1,4-Dihydro-pyrazin-2-ylsulfamoyl)-phenyl]-acetamide
Sample Originator: Terry L Threlfall, Simon J. Coles, Suzanna C Ward and Michael B. Hursthouse. C12H12N4O3S InChI=1/2C12H12N4O3S/c2*1-9(17)15-10-2-4-11(5-3-10)20(18,19)16-12-8-13-6-7-14-12/h2*2-8,16H,1H3,(H,15,17)
| Identification Number: | 10.5258/ecrystals/167 |
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| Controlled Keywords: | Structural systematics, sulfonamides, sulfur drugs |
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| Date Created: | 24 August 1999 |
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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 | C12 H12 N4 O3 S | | Crystal morphology | | | Crystal system | triclinic | | Space group symbol | P-1 | | Cell length a | 8.451(2) | | Cell length b | 11.797(2) | | Cell length c | 14.488(3) | | Cell angle alpha | 104.81(3) | | Cell angle beta | 103.71(3) | | Cell angle gamma | 98.48(3) | | Data collection temperature | 293(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0471 | | R Factor (All) | 0.0862 | | Weighted R Factor (Obs) | 0.1081 | | Weighted R Factor (All) | 0.1255 |
Citation: Threlfall, Terry L and Coles, Simon J. and Ward, Suzanna C and Hursthouse, Michael B. (1999) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/167)
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