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Information card for entry 2241385
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| Coordinates | 2241385.cif |
|---|---|
| Structure factors | 2241385.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Bromo-1-ethylindoline-2,3-dione |
|---|---|
| Formula | C10 H8 Br N O2 |
| Calculated formula | C10 H8 Br N O2 |
| SMILES | Brc1cc2c(cc1)N(C(=O)C2=O)CC |
| Title of publication | Crystal structure of 5-bromo-1-ethylindoline-2,3-dione |
| Authors of publication | Kharbach, Yassine; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; El Ammari, Lahcen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o1024 - o1025 |
| a | 9.5198 ± 0.0003 Å |
| b | 10.0655 ± 0.0003 Å |
| c | 11.2341 ± 0.0003 Å |
| α | 70.9288 ± 0.0016° |
| β | 75.4109 ± 0.0016° |
| γ | 85.2199 ± 0.0016° |
| Cell volume | 984.58 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0738 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241385.cif 2241385.hkl |
| 171466 | 2015-12-13 | cif/ hkl/ Adding structures of 2241385 via cif-deposit CGI script. |
2241385.cif 2241385.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.