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Information card for entry 2239921
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| Coordinates | 2239921.cif |
|---|---|
| Structure factors | 2239921.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(1-Allyl-3-chloro-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide |
|---|---|
| Formula | C17 H16 Cl N3 O2 S |
| Calculated formula | C17 H16 Cl N3 O2 S |
| Title of publication | Crystal structure of <i>N</i>-(1-allyl-3-chloro-1<i>H</i>-indazol-5-yl)-4-methylbenzenesulfonamide |
| Authors of publication | Chicha, Hakima; Rakib, El Mostapha; Chigr, Mohamed; 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 | o1041 - o1042 |
| a | 8.1736 ± 0.0012 Å |
| b | 22.504 ± 0.004 Å |
| c | 19.279 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3546.2 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1045 |
| Weighted residual factors for all reflections included in the refinement | 0.123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181899 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/99. |
2239921.cif 2239921.hkl |
| 181318 | 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 2/23/99. |
2239921.cif 2239921.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. |
2239921.cif 2239921.hkl |
| 122461 | 2014-08-24 | cif/ hkl/ Adding structures of 2239921 via cif-deposit CGI script. |
2239921.cif 2239921.hkl |
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Users of the data should acknowledge the original authors of the
structural data.