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Information card for entry 2007450
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| Coordinates | 2007450.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Methylphenylammonium hydrogen dipicolinate |
|---|---|
| Chemical name | Methylphenylammonium hydrogen 2,6-pyridinecarboxylate |
| Formula | C14 H14 N2 O4 |
| Calculated formula | C14 H14 N2 O4 |
| SMILES | C(=O)(O)c1nc(C(=O)[O-])ccc1.c1(ccccc1)[NH2+]C |
| Title of publication | Methylphenylammonium Hydrogen 2,6-Pyridinedicarboxylate at 158K |
| Authors of publication | Ng, Seik Weng; Turnbull, Mark M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 7 |
| Pages of publication | 1025 - 1027 |
| a | 11.834 ± 0.002 Å |
| b | 8.841 ± 0.002 Å |
| c | 12.889 ± 0.002 Å |
| α | 90° |
| β | 93.41 ± 0.02° |
| γ | 90° |
| Cell volume | 1346.1 ± 0.4 Å3 |
| Cell temperature | 158 ± 2 K |
| Ambient diffraction temperature | 158 ± 2 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 all reflections | 0.103 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for all reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.068 |
| Goodness-of-fit parameter for all reflections | 0.737 |
| Goodness-of-fit parameter for significantly intense reflections | 0.955 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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