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Information card for entry 7230098
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| Coordinates | 7230098.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 2-oxindole |
|---|---|
| Chemical name | indolin-2-one |
| Formula | C8 H7 N O |
| Calculated formula | C8 H7 N O |
| Title of publication | Polymorphs of oxindole as the core structures in bioactive compounds |
| Authors of publication | Hachuła, Barbara; Zubko, Maciej; Zajdel, Paweł; Książek, Maria; Kusz, Joachim; Starczewska, Oliwia; Janek, Joanna; Pisarski, Wojciech |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 12 |
| Pages of publication | 1739 |
| a | 5.6075 ± 0.0001 Å |
| b | 13.0331 ± 0.0003 Å |
| c | 14.8275 ± 0.0003 Å |
| α | 114.825 ± 0.002° |
| β | 100.483 ± 0.002° |
| γ | 91.664 ± 0.002° |
| Cell volume | 960.32 ± 0.04 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0344 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7230098.cif |
| 229155 | 2019-11-17 | cif/ Updating files of 7230098, 7230099, 7230100, 7230101, 7230102, 7230103, 7230104, 7230105 Original log message: Adding full bibliography for 7230098--7230105.cif. |
7230098.cif |
| 206350 | 2018-02-10 | cif/ Adding structures of 7230098, 7230099, 7230100, 7230101, 7230102, 7230103, 7230104, 7230105 via cif-deposit CGI script. |
7230098.cif |
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Users of the data should acknowledge the original authors of the
structural data.