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Information card for entry 2243254
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| Coordinates | 2243254.cif |
|---|---|
| Structure factors | 2243254.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Methyl-<i>N</i>-(4-methylbenzyl)benzenesulfonamide |
|---|---|
| Formula | C15 H17 N O2 S |
| Calculated formula | C15 H17 N O2 S |
| SMILES | S(=O)(=O)(NCc1ccc(cc1)C)c1ccc(cc1)C |
| Title of publication | Crystal structure of 4-methyl-<i>N</i>-(4-methylbenzyl)benzenesulfonamide |
| Authors of publication | Stenfors, Brock A.; Staples, Richard J.; Biros, Shannon M.; Ngassa, Felix N. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 2 |
| Pages of publication | 235 - 238 |
| a | 9.655 ± 0.002 Å |
| b | 5.882 ± 0.0015 Å |
| c | 12.18 ± 0.003 Å |
| α | 90° |
| β | 96.275 ± 0.003° |
| γ | 90° |
| Cell volume | 687.6 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0383 |
| Residual factor for significantly intense reflections | 0.0349 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247001 (current) | 2020-01-18 | cif/ hkl/ Adding structures of 2243254 via cif-deposit CGI script. |
2243254.cif 2243254.hkl |
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Users of the data should acknowledge the original authors of the
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