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Information card for entry 1543132
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| Coordinates | 1543132.cif |
|---|---|
| Structure factors | 1543132.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-(3-Bromopropyl)indoline-2,3-dione |
|---|---|
| Formula | C11 H10 Br N O2 |
| Calculated formula | C11 H10 Br N O2 |
| SMILES | BrCCCN1c2ccccc2C(=O)C1=O |
| Title of publication | 1-(3-Bromopropyl)indoline-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 | x160593 |
| a | 7.7113 ± 0.0002 Å |
| b | 8.1375 ± 0.0002 Å |
| c | 17.8089 ± 0.0004 Å |
| α | 90° |
| β | 93.83 ± 0.0013° |
| γ | 90° |
| Cell volume | 1115.03 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0801 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1417 |
| Weighted residual factors for all reflections included in the refinement | 0.1575 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182165 (current) | 2016-04-16 | cif/ hkl/ Adding structures of 1543132 via cif-deposit CGI script. |
1543132.cif 1543132.hkl |
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Users of the data should acknowledge the original authors of the
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