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Information card for entry 2011620
Preview
| Coordinates | 2011620.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | p-Toluenesulfon-(2-p-tolylthio)anilide |
|---|---|
| Chemical name | 4-methyl-N-[2-(p-tolylsulfanyl)phenyl]benzenesulfonamide |
| Formula | C20 H19 N O2 S2 |
| Calculated formula | C20 H19 N O2 S2 |
| SMILES | S(=O)(=O)(Nc1ccccc1Sc1ccc(cc1)C)c1ccc(C)cc1 |
| Title of publication | 4-Methyl-<i>N</i>-[2-(<i>p</i>-tolylsulfanyl)phenyl]benzenesulfonamide |
| Authors of publication | Banerjee, Surajit; Mukherjee, Alok K.; Nandi, Bidisha; Kundu, Nitya G.; Helliwell, Madeleine |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 12 |
| Pages of publication | 1490 - 1491 |
| a | 10.53 ± 0.004 Å |
| b | 11.873 ± 0.003 Å |
| c | 8.798 ± 0.004 Å |
| α | 90.76 ± 0.04° |
| β | 113.31 ± 0.04° |
| γ | 112.05 ± 0.02° |
| Cell volume | 919.2 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0645 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for all reflections included in the refinement | 0.1467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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