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Information card for entry 2020983
Preview
| Coordinates | 2020983.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-(4-Methoxyphenyl)-2-phthalimidoethanesulfonamide |
|---|---|
| Formula | C17 H16 N2 O5 S |
| Calculated formula | C17 H16 N2 O5 S |
| SMILES | S(=O)(=O)(Nc1ccc(OC)cc1)CCN1C(=O)c2c(C1=O)cccc2 |
| Title of publication | Substituent position effect on the crystal structures of <i>N</i>-phenyl-2-phthalimidoethanesulfonamide derivatives |
| Authors of publication | Sevinçek, Resul; Barut Celepci, Duygu; Köktaş Koca, Serap; Akgül, Özlem; Aygün, Muittin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 1 |
| Pages of publication | 31 - 36 |
| a | 10.9408 ± 0.0009 Å |
| b | 7.2555 ± 0.0007 Å |
| c | 21.1923 ± 0.0018 Å |
| α | 90° |
| β | 99.838 ± 0.008° |
| γ | 90° |
| Cell volume | 1657.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0851 |
| Weighted residual factors for all reflections included in the refinement | 0.0956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020983.cif |
| 205706 | 2018-01-26 | cif/ hkl/ Adding structures of 2020981, 2020982, 2020983, 2020984 via cif-deposit CGI script. |
2020983.cif |
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Users of the data should acknowledge the original authors of the
structural data.