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Information card for entry 2022156
Preview
| Coordinates | 2022156.cif |
|---|---|
| Structure factors | 2022156.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-1-Benzyl-3-[2-oxo-2-(thiophen-2-yl)ethylidene]indolin-2-one |
|---|---|
| Formula | C21 H15 N O2 S |
| Calculated formula | C21 H15 N O2 S |
| Title of publication | Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products |
| Authors of publication | Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| Pages of publication | 433 - 445 |
| a | 17.5058 ± 0.0014 Å |
| b | 8.8163 ± 0.0006 Å |
| c | 21.2092 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3273.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0546 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0818 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 252950 (current) | 2020-06-06 | cif/ hkl/ Adding structures of 2022149, 2022150, 2022151, 2022152, 2022153, 2022154, 2022155, 2022156, 2022157 via cif-deposit CGI script. |
2022156.cif 2022156.hkl |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.