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Information card for entry 1543165
Preview
| Coordinates | 1543165.cif |
|---|---|
| Structure factors | 1543165.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione |
|---|---|
| Formula | C17 H13 N O2 |
| Calculated formula | C17 H13 N O2 |
| SMILES | c12ccccc1C(=O)C(=O)N2C/C=C/c1ccccc1 |
| Title of publication | 1-[(2<i>E</i>)-3-Phenylprop-2-en-1-yl]-1<i>H</i>-indole-2,3-dione |
| Authors of publication | Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160633 |
| a | 8.2585 ± 0.0002 Å |
| b | 7.2677 ± 0.0001 Å |
| c | 44.4667 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2668.9 ± 0.09 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0843 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.11 |
| Weighted residual factors for all reflections included in the refinement | 0.1268 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543165.cif 1543165.hkl |
| 182305 | 2016-04-28 | cif/ hkl/ Adding structures of 1543165 via cif-deposit CGI script. |
1543165.cif 1543165.hkl |
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Users of the data should acknowledge the original authors of the
structural data.