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Information card for entry 1543126
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| Coordinates | 1543126.cif |
|---|---|
| Structure factors | 1543126.hkl |
| Original paper (by DOI) | HTML |
| Common name | Dibromonitrotoluene |
|---|---|
| Chemical name | 1,3-Dibromo-2-methyl-5-nitrobenzene |
| Formula | C7 H5 Br2 N O2 |
| Calculated formula | C7 H5 Br2 N O2 |
| Title of publication | Dibromonitrotoluene |
| Authors of publication | Medjroubi, Mohamed Larbi; Jeannin, Olivier; Fourmigué, Marc; Boudjada, Ali; Meinnel, Jean |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160621 |
| a | 8.755 ± 0.005 Å |
| b | 9.533 ± 0.005 Å |
| c | 10.897 ± 0.005 Å |
| α | 91.324 ± 0.005° |
| β | 90.517 ± 0.005° |
| γ | 103.216 ± 0.005° |
| Cell volume | 885.1 ± 0.8 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0419 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for all reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.0554 |
| Weighted residual factors for all reflections included in the refinement | 0.0528 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.8477 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182159 (current) | 2016-04-16 | cif/ hkl/ Adding structures of 1543126 via cif-deposit CGI script. |
1543126.cif 1543126.hkl |
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Users of the data should acknowledge the original authors of the
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