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Information card for entry 2238880
Preview
| Coordinates | 2238880.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide |
|---|---|
| Formula | C17 H17 N3 O2 S |
| Calculated formula | C17 H17 N3 O2 S |
| SMILES | C=CCn1ncc2c1ccc(c2)NS(=O)(=O)c1ccc(cc1)C |
| Title of publication | <i>N</i>-(1-Allyl-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide |
| Authors of publication | Chicha, Hakima; Rakib, El Mostapha; Abderrafia, Hafid; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | o1847 |
| a | 8.82 ± 0.0004 Å |
| b | 10.4769 ± 0.0005 Å |
| c | 19.7407 ± 0.001 Å |
| α | 80.211 ± 0.001° |
| β | 78.984 ± 0.001° |
| γ | 69.784 ± 0.001° |
| Cell volume | 1669.51 ± 0.14 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0553 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1102 |
| Weighted residual factors for all reflections included in the refinement | 0.1204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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