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Information card for entry 2020645
Preview
| Coordinates | 2020645.cif |
|---|---|
| Structure factors | 2020645.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 2-Amino-3-methylpyridinium hydrogen sulfate |
|---|---|
| Formula | C6 H10 N2 O4 S |
| Calculated formula | C6 H10 N2 O4 S |
| SMILES | S(=O)(=O)(O)[O-].[nH+]1c(c(C)ccc1)N |
| Title of publication | Synthesis and characterization of four organic‒inorganic salts: sulfates of 2-aminopyridinium derivatives |
| Authors of publication | Bednarchuk, Tamara J.; Kinzhybalo, Vasyl; Pietraszko, Adam |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 11 |
| Pages of publication | 882 - 889 |
| a | 8.029 ± 0.003 Å |
| b | 10.645 ± 0.004 Å |
| c | 11.541 ± 0.004 Å |
| α | 82.95 ± 0.03° |
| β | 87.95 ± 0.03° |
| γ | 67.93 ± 0.03° |
| Cell volume | 907.1 ± 0.6 Å3 |
| Cell temperature | 295 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0865 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 188951 (current) | 2016-12-06 | cif/ Updating files of 2020643, 2020644, 2020645, 2020646 Original log message: Adding full bibliography for 2020643--2020646.cif. |
2020645.cif 2020645.hkl |
| 187529 | 2016-10-25 | cif/ hkl/ Adding structures of 2020643, 2020644, 2020645, 2020646 via cif-deposit CGI script. |
2020645.cif 2020645.hkl |
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Users of the data should acknowledge the original authors of the
structural data.