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Information card for entry 2239536
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| Coordinates | 2239536.cif |
|---|---|
| Structure factors | 2239536.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(1-Allyl-3-chloro-4-ethoxy-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide |
|---|---|
| Formula | C19 H20 Cl N3 O3 S |
| Calculated formula | C19 H20 Cl N3 O3 S |
| SMILES | C=CCn1nc(c2c1ccc(c2OCC)NS(=O)(=O)c1ccc(cc1)C)Cl |
| Title of publication | <i>N</i>-(1-Allyl-3-chloro-4-ethoxy-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide |
| Authors of publication | Chicha, Hakima; Rakib, El Mostapha; Bouissane, Latifa; 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 | o653 |
| a | 10.0345 ± 0.0002 Å |
| b | 10.5208 ± 0.0002 Å |
| c | 10.7237 ± 0.0002 Å |
| α | 71.561 ± 0.001° |
| β | 69.601 ± 0.001° |
| γ | 83.039 ± 0.001° |
| Cell volume | 1006.56 ± 0.03 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 | 0.0499 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239536.cif 2239536.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. |
2239536.cif 2239536.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. |
2239536.cif 2239536.hkl |
| 113304 | 2014-05-10 | cif/ hkl/ Adding structures of 2239536 via cif-deposit CGI script. |
2239536.cif 2239536.hkl |
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