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Information card for entry 1567083
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| Coordinates | 1567083.cif |
|---|---|
| Structure factors | 1567083.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,6-Dibromo-4-methylaniline |
|---|---|
| Formula | C7 H7 Br2 N |
| Calculated formula | C7 H7 Br2 N |
| SMILES | Brc1c(N)c(Br)cc(c1)C |
| Title of publication | 2,6-Dibromo-4-methylaniline |
| Authors of publication | Brihi, Ouarda; Medjani, Meriem; Bougueria, Hassiba; Djedouani, Amel; Francois, Michelle; Fleutot, Solenne; Boudjada, Ali |
| Journal of publication | IUCrData |
| Year of publication | 2022 |
| Journal volume | 7 |
| Journal issue | 6 |
| Pages of publication | x220577 |
| a | 4.3773 ± 0.0007 Å |
| b | 13.585 ± 0.002 Å |
| c | 14.057 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 835.9 ± 0.3 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0446 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.0663 |
| Weighted residual factors for all reflections included in the refinement | 0.0723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.909 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275905 (current) | 2022-06-08 | cif/ hkl/ Adding structures of 1567083 via cif-deposit CGI script. |
1567083.cif 1567083.hkl |
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Users of the data should acknowledge the original authors of the
structural data.