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Information card for entry 2020984
Preview
| Coordinates | 2020984.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | <i>N</i>-(2-Ethylphenyl)-2-phthalimidoethanesulfonamide monohydrate |
|---|---|
| Formula | C18 H20 N2 O5 S |
| Calculated formula | C18 H20 N2 O5 S |
| SMILES | S(=O)(=O)(Nc1ccccc1CC)CCN1C(=O)c2c(C1=O)cccc2.O |
| 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 | 15.356 ± 0.003 Å |
| b | 7.4014 ± 0.0005 Å |
| c | 25.061 ± 0.005 Å |
| α | 90° |
| β | 141.36 ± 0.04° |
| γ | 90° |
| Cell volume | 1778.6 ± 1.6 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1442 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.0901 |
| Weighted residual factors for all reflections included in the refinement | 0.1193 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| 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. |
2020984.cif |
| 205706 | 2018-01-26 | cif/ hkl/ Adding structures of 2020981, 2020982, 2020983, 2020984 via cif-deposit CGI script. |
2020984.cif |
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Users of the data should acknowledge the original authors of the
structural data.