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Information card for entry 8107642
Preview
| Coordinates | 8107642.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-bromo-1H-imidazole |
|---|---|
| Formula | C3 H3 Br N2 |
| Calculated formula | C3 H3 Br N2 |
| SMILES | Brc1nc[nH]c1 |
| Title of publication | Crystal structure of 4-bromo-1H-imidazole, at 200 K, C3H3BrN2 |
| Authors of publication | Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2015 |
| Journal volume | 230 |
| Journal issue | 1 |
| Pages of publication | 27 - 28 |
| a | 3.9398 ± 0.0002 Å |
| b | 12.5823 ± 0.0006 Å |
| c | 9.8199 ± 0.0004 Å |
| α | 90° |
| β | 106.934 ± 0.002° |
| γ | 90° |
| Cell volume | 465.68 ± 0.04 Å3 |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0758 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287508 (current) | 2023-11-10 | cif/ Adding structures of 8107642 via cif-deposit CGI script. |
8107642.cif |
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Users of the data should acknowledge the original authors of the
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