N-(2,5-Dihydro-pyrimidine-2-yl)-4-methyl-benzenesulfonamide
Sample Originator: Simon J. Coles, Michael B. Hursthouse, Thomas A. Mayer and Terry L Threlfall. C11H11N3O2S InChI=1/C11H11N3O2S/c1-9-3-5-10(6-4-9)17(15,16)14-11-12-7-2-8-13-11/h2-8,14H,1H3
| Identification Number: | 10.5258/ecrystals/187 |
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| Controlled Keywords: | structural systematics, sulfonamides, sulfur drugs |
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| Date Created: | 13 March 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 | C11 H11 N3 O2 S | | Crystal morphology | | | Crystal system | triclinic | | Space group symbol | P-1 | | Cell length a | 6.0265(12) | | Cell length b | 7.9404(16) | | Cell length c | 12.193(2) | | Cell angle alpha | 82.26(3) | | Cell angle beta | 89.81(3) | | Cell angle gamma | 88.35(3) | | Data collection temperature | 293(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0418 | | R Factor (All) | 0.0534 | | Weighted R Factor (Obs) | 0.1083 | | Weighted R Factor (All) | 0.1176 |
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/187)
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