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Information card for entry 2242122
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| Coordinates | 2242122.cif |
|---|---|
| Structure factors | 2242122.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Chloropyridine-2,3-diamine |
|---|---|
| Formula | C5 H6 Cl N3 |
| Calculated formula | C5 H6 Cl N3 |
| SMILES | Clc1cnc(N)c(N)c1 |
| Title of publication | Crystallographic and spectroscopic characterization of 5-chloropyridine-2,3-diamine |
| Authors of publication | Sulovari, Aron; Tanski, Joseph M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 8 |
| Pages of publication | 1213 - 1217 |
| a | 3.7565 ± 0.0008 Å |
| b | 8.7002 ± 0.0017 Å |
| c | 18.35 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 599.7 ± 0.2 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.062 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198917 (current) | 2017-07-22 | cif/ hkl/ Adding structures of 2242122 via cif-deposit CGI script. |
2242122.cif 2242122.hkl |
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Users of the data should acknowledge the original authors of the
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