Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020981
Preview
| Coordinates | 2020981.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | <i>N</i>-Phenyl-2-phthalimidoethanesulfonamide |
|---|---|
| Formula | C16 H14 N2 O4 S |
| Calculated formula | C16 H14 N2 O4 S |
| SMILES | S(=O)(=O)(Nc1ccccc1)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 | 6.9783 ± 0.0005 Å |
| b | 9.7631 ± 0.0007 Å |
| c | 11.8912 ± 0.0009 Å |
| α | 78.365 ± 0.006° |
| β | 74.458 ± 0.006° |
| γ | 81.063 ± 0.006° |
| Cell volume | 760.07 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0581 |
| Residual factor for significantly intense reflections | 0.0389 |
| Weighted residual factors for significantly intense reflections | 0.0926 |
| Weighted residual factors for all reflections included in the refinement | 0.1036 |
| 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 | 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. |
2020981.cif |
| 205706 | 2018-01-26 | cif/ hkl/ Adding structures of 2020981, 2020982, 2020983, 2020984 via cif-deposit CGI script. |
2020981.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.