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Information card for entry 2242743
Preview
| Coordinates | 2242743.cif |
|---|---|
| Structure factors | 2242743.hkl |
| Original IUCr paper | HTML |
| Common name | 4-dimethylaminopyridinium hydrogen oxalate 0.22 hydrate |
|---|---|
| Chemical name | 4-(Dimethylamino)pyridinum hydrogen oxalate 0.22-hydrate, |
| Formula | C9 H12.44 N2 O4.22 |
| Calculated formula | C9 H12.443 N2 O4.2215 |
| Title of publication | Hydrogen-bonding chain and dimer motifs in pyridinium and morpholinium hydrogen oxalate salts |
| Authors of publication | Mulrooney, David Z. T.; Madden, Eimear C.; Lonergan, Rhona F.; Slyusarchuk, Valentyna D.; Müller-Bunz, Helge; Keene, Tony D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 12 |
| Pages of publication | 1804 - 1807 |
| a | 7.5241 ± 0.0003 Å |
| b | 8.2898 ± 0.0003 Å |
| c | 18.7359 ± 0.0006 Å |
| α | 89.738 ± 0.003° |
| β | 79.626 ± 0.003° |
| γ | 64.741 ± 0.004° |
| Cell volume | 1036.17 ± 0.08 Å3 |
| Cell temperature | 101.3 ± 0.8 K |
| Ambient diffraction temperature | 101.3 ± 0.8 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0453 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212035 (current) | 2018-11-17 | cif/ hkl/ Adding structures of 2242743, 2242744, 2242745 via cif-deposit CGI script. |
2242743.cif 2242743.hkl |
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Users of the data should acknowledge the original authors of the
structural data.