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Information card for entry 1572727
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| Coordinates | 1572727.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-Bromoacetamide |
|---|---|
| Formula | C2 H4 Br N O |
| Calculated formula | C2 H4 Br N O |
| Title of publication | 2-Bromoacetamide |
| Authors of publication | Schwarzer, Anke; Stapf, Manuel |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 9 |
| a | 10.373 ± 0.004 Å |
| b | 5.1899 ± 0.0014 Å |
| c | 7.557 ± 0.003 Å |
| α | 90° |
| β | 99.94 ± 0.03° |
| γ | 90° |
| Cell volume | 400.7 ± 0.2 Å3 |
| Cell temperature | 93 ± 2 K |
| Ambient diffraction temperature | 93 ± 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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 |
|---|---|---|---|
| 294956 (current) | 2024-10-01 | cif/ Adding structures of 1572727 via cif-deposit CGI script. |
1572727.cif |
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Users of the data should acknowledge the original authors of the
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