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Information card for entry 2241293
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| Coordinates | 2241293.cif |
|---|---|
| Structure factors | 2241293.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(1-Acetyl-3-chloro-1<i>H</i>-indazol-6-yl)-4-methoxybenzenesulfonamide |
|---|---|
| Formula | C16 H14 Cl N3 O4 S |
| Calculated formula | C16 H14 Cl N3 O4 S |
| SMILES | c1(ccc(cc1)S(=O)(=O)Nc1cc2c(cc1)c(nn2C(=O)C)Cl)OC |
| Title of publication | Crystal structure of <i>N</i>-(1-acetyl-3-chloro-1<i>H</i>-indazol-6-yl)-4-methoxybenzenesulfonamide |
| Authors of publication | Hakmaoui, Yassine; Rakib, El Mostapha; Gamouh, Ahmed; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o914 - o915 |
| a | 13.9664 ± 0.0006 Å |
| b | 6.43 ± 0.0003 Å |
| c | 19.6155 ± 0.0009 Å |
| α | 90° |
| β | 107.227 ± 0.001° |
| γ | 90° |
| Cell volume | 1682.52 ± 0.13 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0576 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1203 |
| Weighted residual factors for all reflections included in the refinement | 0.13 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241293.cif 2241293.hkl |
| 170175 | 2015-11-07 | cif/ hkl/ Adding structures of 2241293 via cif-deposit CGI script. |
2241293.cif 2241293.hkl |
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Users of the data should acknowledge the original authors of the
structural data.