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Information card for entry 8104550
Preview
| Coordinates | 8104550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H7 Br N2 O2 |
|---|---|
| Calculated formula | C6 H7 Br N2 O2 |
| Title of publication | The crystal structure of 6-amino-2-carboxypyridin-1-ium bromide, C6H7BrN2O2 |
| Authors of publication | Cui, Mengbing; Zeng, Yan; Li, Yong; Chen, Heng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 6 |
| Pages of publication | 1145 - 1146 |
| a | 23.747 ± 0.0019 Å |
| b | 5.4355 ± 0.0004 Å |
| c | 15.3336 ± 0.0011 Å |
| α | 90° |
| β | 127.291 ± 0.002° |
| γ | 90° |
| Cell volume | 1574.6 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0292 |
| Weighted residual factors for significantly intense reflections | 0.0696 |
| Weighted residual factors for all reflections included in the refinement | 0.0756 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272870 (current) | 2022-02-09 | cif/ Adding structures of 8104550 via cif-deposit CGI script. |
8104550.cif |
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Users of the data should acknowledge the original authors of the
structural data.