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Information card for entry 7230105
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| Coordinates | 7230105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | oxindole |
|---|---|
| Chemical name | 2-indolinone |
| Formula | C8 H7 N O |
| Calculated formula | C8 H7 N O |
| SMILES | O=C1Nc2ccccc2C1 |
| 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 | 12.0455 ± 0.0003 Å |
| b | 7.0949 ± 0.0002 Å |
| c | 7.967 ± 0.0002 Å |
| α | 90° |
| β | 101.314 ± 0.003° |
| γ | 90° |
| Cell volume | 667.64 ± 0.03 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 4 |
| 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 | 0.0422 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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. |
7230105.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. |
7230105.cif |
| 206350 | 2018-02-10 | cif/ Adding structures of 7230098, 7230099, 7230100, 7230101, 7230102, 7230103, 7230104, 7230105 via cif-deposit CGI script. |
7230105.cif |
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Users of the data should acknowledge the original authors of the
structural data.