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Information card for entry 2239096
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| Coordinates | 2239096.cif |
|---|---|
| Structure factors | 2239096.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(2-Hydroxyphenyl)-4-methylbenzenesulfonamide |
|---|---|
| Formula | C13 H13 N O3 S |
| Calculated formula | C13 H13 N O3 S |
| SMILES | Cc1ccc(cc1)S(=O)(=O)Nc1ccccc1O |
| Title of publication | <i>N</i>-(2-Hydroxyphenyl)-4-methylbenzenesulfonamide |
| Authors of publication | Mohamed, Shaaban K.; Akkurt, Mehmet; Kariuki, Benson M.; Ali, Ali M.; Albayati, Mustafa R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 1 |
| Pages of publication | o54 |
| a | 7.678 ± 0.0001 Å |
| b | 15.4747 ± 0.0003 Å |
| c | 10.725 ± 0.0002 Å |
| α | 90° |
| β | 104.333 ± 0.002° |
| γ | 90° |
| Cell volume | 1234.62 ± 0.04 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0312 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0811 |
| Weighted residual factors for all reflections included in the refinement | 0.0824 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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