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Information card for entry 1543063
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| Coordinates | 1543063.cif |
|---|---|
| Structure factors | 1543063.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Benzyl-5-bromoindoline-2,3-dione |
|---|---|
| Formula | C15 H10 Br N O2 |
| Calculated formula | C15 H10 Br N O2 |
| SMILES | C1(=O)C(=O)c2cc(ccc2N1Cc1ccccc1)Br |
| Title of publication | 1-Benzyl-5-bromoindoline-2,3-dione |
| Authors of publication | Kharbach, Yassine; Kandri Rodi, Youssef; Renard, Catherine; Essassi, El Mokhtar; El Ammari, Lahcen |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160559 |
| a | 4.5205 ± 0.0001 Å |
| b | 13.4538 ± 0.0003 Å |
| c | 21.0436 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1279.83 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0321 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0563 |
| Weighted residual factors for all reflections included in the refinement | 0.0577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181998 (current) | 2016-04-09 | cif/ hkl/ Adding structures of 1543063 via cif-deposit CGI script. |
1543063.cif 1543063.hkl |
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