4-Amino-N-Pyridin-2-yl-benzenesulfonamide with Formic acid butyl ester
Sample Originator: Simon J. Coles, Michael B. Hursthouse, Thomas A. Mayer and Terry L Threlfall. C16H20N3O4S InChI=1/C11H11N3O2S.C5H9O2/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11;1-2-3-4-7-5-6/h1-8H,12H2,(H,13,14);2-4H2,1H3
| Identification Number: | 10.5258/ecrystals/196 |
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| Controlled Keywords: | Structural systematics, sulfonamides, sulfur drugs |
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| Date Created: | 03 February 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 | C16 H20 N3 O4 S | | Crystal morphology | | | Crystal system | triclinic | | Space group symbol | P-1 | | Cell length a | 8.8031(18) | | Cell length b | 9.6811(19) | | Cell length c | 10.862(2) | | Cell angle alpha | 83.99(3) | | Cell angle beta | 71.84(3) | | Cell angle gamma | 78.35(3) | | Data collection temperature | 150(2) |
Refinement results| Solution figure of merit | | | R Factor (Obs) | 0.0476 | | R Factor (All) | 0.0644 | | Weighted R Factor (Obs) | 0.1220 | | Weighted R Factor (All) | 0.1335 |
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/196)
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