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Information card for entry 2312526
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| Coordinates | 2312526.cif |
|---|---|
| Structure factors | 2312526.hkl |
| Original IUCr paper | HTML |
| Common name | 2-Amino-3-methylpyridinium 5-chlorosalicylate |
|---|---|
| Chemical name | 2-Amino-3-methylpyridin-1-ium 5-chloro-2-hydroxybenzoate |
| Formula | C13 H13 Cl N2 O3 |
| Calculated formula | C13 H13 Cl N2 O3 |
| 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 | 11.7399 ± 0.0002 Å |
| b | 8.3731 ± 0.0001 Å |
| c | 13.6779 ± 0.0002 Å |
| α | 90° |
| β | 106.782 ± 0.001° |
| γ | 90° |
| Cell volume | 1287.27 ± 0.03 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0389 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.1038 |
| Weighted residual factors for all reflections included in the refinement | 0.1067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| 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. |
2312526.cif 2312526.hkl |
| 292499 | 2024-06-21 | cif/ hkl/ Adding structures of 2312525, 2312526 via cif-deposit CGI script. |
2312526.cif 2312526.hkl |
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Users of the data should acknowledge the original authors of the
structural data.