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Information card for entry 2020898
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| Coordinates | 2020898.cif |
|---|---|
| Structure factors | 2020898.hkl |
| Original IUCr paper | HTML |
| Common name | 26-DAP |
|---|---|
| Chemical name | Pyridine-2,6-diamine |
| Formula | C5 H7 N3 |
| Calculated formula | C5 H7 N3 |
| SMILES | n1c(N)cccc1N |
| Title of publication | A new polymorph of 2,6-diaminopyridine |
| Authors of publication | Hall, Victoria M.; Bertke, Jeffery A.; Swift, Jennifer A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 11 |
| Pages of publication | 990 - 993 |
| a | 5.1217 ± 0.0009 Å |
| b | 9.8397 ± 0.0014 Å |
| c | 21.914 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1104.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1189 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1204 |
| Weighted residual factors for all reflections included in the refinement | 0.149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205301 (current) | 2018-01-17 | cif/ hkl/ Adding structures of 2020898 via cif-deposit CGI script. |
2020898.cif 2020898.hkl |
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Users of the data should acknowledge the original authors of the
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