Sample Originator: Simon J. Coles, Michael B. Hursthouse, Suzanna C Ward and Terry L Threlfall.
C12H12N2O2S
InChI=1/C12H12N2O2S/c1-10-7-8-12(13-9-10)14-17(15,16)11-5-3-2-4-6-11/h2-9H,1H3,(H,13,14)
| Identification Number: | 10.5258/ecrystals/163 |
|---|
| Controlled Keywords: | Structural systematics, sulfonamides, sulfur drugs |
|---|
| Date Created: | 16 March 1999 |
|---|
| Deposited On: | 21 Jan 2008 15:28 |
|---|
| Deposited By: | A.N. Admin |
|---|
Data collection parameters
| Chemical formula | C12 H12 N2 O2 S |
| Crystal morphology | |
| Crystal system | Monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 11.754(2) |
| Cell length b | 13.880(3) |
| Cell length c | 7.2050(10) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 107.18(3) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 293(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0396 |
| R Factor (All) | 0.0527 |
| Weighted R Factor (Obs) | 0.1011 |
| Weighted R Factor (All) | 0.1080 |
Citation: Coles, Simon J. and Hursthouse, Michael B. and Ward, Suzanna C and Threlfall, Terry L (1999) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/163)
Export as: oreChem EndNote BibTeX ASCII Citation
Repository Staff Only: item control page
