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Information card for entry 8104611
Preview
| Coordinates | 8104611.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 3-amino-5-carboxypyridin-1-ium bromide, C6H7BrN2O2 |
| Authors of publication | Du, Chao-Jun; Niu, De-Long; Yan, Zhen-Li; Zheng, Shi-Li; Zeng, Yan |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 6 |
| Pages of publication | 1375 - 1376 |
| a | 7.3026 ± 0.0004 Å |
| b | 7.4618 ± 0.0004 Å |
| c | 7.8746 ± 0.0004 Å |
| α | 81.542 ± 0.003° |
| β | 89.459 ± 0.003° |
| γ | 61.718 ± 0.003° |
| Cell volume | 372.86 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 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 | 0.0256 |
| Residual factor for significantly intense reflections | 0.0209 |
| Weighted residual factors for significantly intense reflections | 0.0459 |
| Weighted residual factors for all reflections included in the refinement | 0.0473 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273220 (current) | 2022-03-03 | cif/ Adding structures of 8104611 via cif-deposit CGI script. |
8104611.cif |
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Users of the data should acknowledge the original authors of the
structural data.