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Information card for entry 1543130
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| Coordinates | 1543130.cif |
|---|---|
| Structure factors | 1543130.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Propyl-1<i>H</i>-indole-2,3-dione |
|---|---|
| Formula | C11 H11 N O2 |
| Calculated formula | C11 H11 N O2 |
| SMILES | C1(=O)C(=O)N(CCC)c2ccccc12 |
| Title of publication | 1-Propyl-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 | x160609 |
| a | 4.4666 ± 0.0002 Å |
| b | 12.9169 ± 0.0006 Å |
| c | 16.3857 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 945.37 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0442 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.0891 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.255 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182163 (current) | 2016-04-16 | cif/ hkl/ Adding structures of 1543130 via cif-deposit CGI script. |
1543130.cif 1543130.hkl |
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Users of the data should acknowledge the original authors of the
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