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Information card for entry 2312525
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| Coordinates | 2312525.cif |
|---|---|
| Structure factors | 2312525.hkl |
| Original IUCr paper | HTML |
| Common name | Bis(2-amino-3-methylpyridinium) fumarate dihydrate |
|---|---|
| Chemical name | Bis(2-amino-3-methylpyridin-1-ium) (2<i>E</i>)-but-2-enedioate dihydrate |
| Formula | C16 H24 N4 O6 |
| Calculated formula | C16 H24 N4 O6 |
| Title of publication | Synthesis and structural investigation of salts of 2-amino-3-methylpyridine with carboxylic acid derivatives: an experimental and theoretical study. |
| Authors of publication | Balasubramanian, Hemalatha; Ashraf, Aarifa Muhammed; Karuppannan, Srikanth; Poomani, Kumaradhas |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 7 |
| Pages of publication | 302 - 310 |
| a | 6.8383 ± 0.0002 Å |
| b | 7.2272 ± 0.0002 Å |
| c | 9.7427 ± 0.0002 Å |
| α | 82.921 ± 0.001° |
| β | 76.809 ± 0.001° |
| γ | 82.043 ± 0.001° |
| Cell volume | 462.18 ± 0.02 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0429 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1235 |
| Weighted residual factors for all reflections included in the refinement | 0.1267 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 293984 (current) | 2024-08-07 | cif/ Updating files of 2312525, 2312526 Original log message: Adding full bibliography for 2312525--2312526.cif. |
2312525.cif 2312525.hkl |
| 292499 | 2024-06-21 | cif/ hkl/ Adding structures of 2312525, 2312526 via cif-deposit CGI script. |
2312525.cif 2312525.hkl |
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Users of the data should acknowledge the original authors of the
structural data.