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Information card for entry 2023035
Preview
| Coordinates | 2023035.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tetraethylammonium <i>N</i>-methanesulfonyl-4-nitro-2-phenoxyanilinide |
|---|---|
| Formula | C21 H31 N3 O5 S |
| Calculated formula | C21 H31 N3 O5 S |
| Title of publication | Crystal structure of the tetra-ethyl-ammonium salt of the non-steroidal anti-inflammatory drug nimesulide (polymorph II). |
| Authors of publication | Rybczyńska, Małgorzata; Sikorski, Artur |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 3 |
| Pages of publication | 314 - 317 |
| a | 11.0276 ± 0.001 Å |
| b | 10.7661 ± 0.0008 Å |
| c | 19.635 ± 0.002 Å |
| α | 90° |
| β | 91.792 ± 0.009° |
| γ | 90° |
| Cell volume | 2330 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.121 |
| Residual factor for significantly intense reflections | 0.0657 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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