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Information card for entry 2239877
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| Coordinates | 2239877.cif |
|---|---|
| Structure factors | 2239877.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(3-Chloro-1-methyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide |
|---|---|
| Formula | C15 H14 Cl N3 O3 S |
| Calculated formula | C15 H14 Cl N3 O3 S |
| SMILES | Cn1c2c(c(n1)Cl)cc(cc2)NS(=O)(=O)c1ccc(cc1)OC |
| Title of publication | Crystal structure of <i>N</i>-(3-chloro-1-methyl-1<i>H</i>-indazol-5-yl)-4-methoxybenzenesulfonamide |
| Authors of publication | Chicha, Hakima; Rakib, El Mostapha; Gamouh, Ahmed; Saadi, Mohamed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 9 |
| Pages of publication | o983 - o984 |
| a | 8.2023 ± 0.0001 Å |
| b | 10.6312 ± 0.0002 Å |
| c | 10.8957 ± 0.0002 Å |
| α | 117.523 ± 0.001° |
| β | 93.095 ± 0.001° |
| γ | 103.166 ± 0.001° |
| Cell volume | 806.36 ± 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 | 0.0484 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.116 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181898 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/98. |
2239877.cif 2239877.hkl |
| 181317 | 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 2/23/98. |
2239877.cif 2239877.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. |
2239877.cif 2239877.hkl |
| 121859 | 2014-08-10 | cif/ hkl/ Adding structures of 2239877 via cif-deposit CGI script. |
2239877.cif 2239877.hkl |
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