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Information card for entry 2004980
Preview
| Coordinates | 2004980.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 3-aminopyrazine-2-carboxylic acid |
|---|---|
| Formula | C5 H5 N3 O2 |
| Calculated formula | C5 H5 N3 O2 |
| SMILES | OC(=O)c1nccnc1N |
| Title of publication | 3-Aminopyrazine-2-carboxylic Acid |
| Authors of publication | A. J. Dobson; R. E. Gerkin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 6 |
| Pages of publication | 1512 - 1514 |
| a | 3.756 ± 0.001 Å |
| b | 14.191 ± 0.001 Å |
| c | 10.911 ± 0.001 Å |
| α | 90° |
| β | 99.18 ± 0.01° |
| γ | 90° |
| Cell volume | 574.12 ± 0.17 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.053 |
| Goodness-of-fit parameter for significantly intense reflections | 1.8 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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