Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2239567
Preview
| Coordinates | 2239567.cif |
|---|---|
| Structure factors | 2239567.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-(3-Chloro-4-ethoxy-1-methyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide |
|---|---|
| Formula | C17 H18 Cl N3 O4 S |
| Calculated formula | C17 H18 Cl N3 O4 S |
| SMILES | CCOc1c(ccc2c1c(Cl)nn2C)NS(=O)(=O)c1ccc(cc1)OC |
| Title of publication | <i>N</i>-(3-Chloro-4-ethoxy-1-methyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide |
| Authors of publication | Chicha, Hakima; Rakib, El Mostapha; Hannioui, Abdellah; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o679 |
| a | 8.5296 ± 0.0009 Å |
| b | 8.6165 ± 0.0009 Å |
| c | 12.9821 ± 0.0014 Å |
| α | 91.81 ± 0.006° |
| β | 102.566 ± 0.005° |
| γ | 100.514 ± 0.005° |
| Cell volume | 913.1 ± 0.17 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0497 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1226 |
| Weighted residual factors for all reflections included in the refinement | 0.1282 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2239567.cif 2239567.hkl |
| 181895 | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239567.cif 2239567.hkl |
| 181314 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/95. |
2239567.cif 2239567.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239567.cif 2239567.hkl |
| 113944 | 2014-05-18 | cif/ hkl/ Adding structures of 2239567 via cif-deposit CGI script. |
2239567.cif 2239567.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.