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Information card for entry 2022384
Preview
| Coordinates | 2022384.cif |
|---|---|
| Structure factors | 2022384.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Ethyl-3-hydroxy-3-(6-oxocyclohex-1-en-1-yl)indolin-2-one |
|---|---|
| Formula | C16 H17 N O3 |
| Calculated formula | C16 H17 N O3 |
| Title of publication | Synthesis, spectroscopic investigation, crystal structure analysis, quantum chemical study, biological activity and molecular docking of three isatin derivatives |
| Authors of publication | Bargavi, Srinivasan; Gouthaman, Siddan; Sugunalakshmi, Madurai; Lakshmi, Srinivasakannan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 6 |
| a | 8.9227 ± 0.0006 Å |
| b | 12.8741 ± 0.0006 Å |
| c | 12.5994 ± 0.0008 Å |
| α | 90° |
| β | 93.897 ± 0.003° |
| γ | 90° |
| Cell volume | 1443.97 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0775 |
| Residual factor for significantly intense reflections | 0.0445 |
| Weighted residual factors for significantly intense reflections | 0.0981 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265536 (current) | 2021-05-27 | cif/ hkl/ Adding structures of 2022383, 2022384, 2022385 via cif-deposit CGI script. |
2022384.cif 2022384.hkl |
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Users of the data should acknowledge the original authors of the
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