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Information card for entry 2312650
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| Coordinates | 2312650.cif |
|---|---|
| Structure factors | 2312650.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,4,6-Triaminopyrimidinium 2-(indol-3-yl)acetate |
|---|---|
| Formula | C14 H16 N6 O2 |
| Calculated formula | C14 H16 N6 O2 |
| Title of publication | Structural insights into supramolecular interactions in isostructural salts of 2,4,6-triaminopyrimidinium with various heterocyclic carboxylates. |
| Authors of publication | Mohana, Marimuthu; Gomathi, Sundaramoorthy; Thomas Muthiah, Packianathan; Butcher, Ray J. |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 11 |
| Pages of publication | 734 - 741 |
| a | 11.5487 ± 0.0014 Å |
| b | 11.5859 ± 0.001 Å |
| c | 11.9737 ± 0.0015 Å |
| α | 69.595 ± 0.009° |
| β | 73.659 ± 0.011° |
| γ | 74.862 ± 0.009° |
| Cell volume | 1417 ± 0.3 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.1097 |
| Residual factor for significantly intense reflections | 0.062 |
| Weighted residual factors for significantly intense reflections | 0.1187 |
| Weighted residual factors for all reflections included in the refinement | 0.1448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296761 (current) | 2024-12-07 | cif/ Updating files of 2312649, 2312650, 2312651, 2312652 Original log message: Adding full bibliography for 2312649--2312652.cif. |
2312650.cif 2312650.hkl |
| 295068 | 2024-10-05 | cif/ hkl/ Adding structures of 2312649, 2312650, 2312651, 2312652 via cif-deposit CGI script. |
2312650.cif 2312650.hkl |
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Users of the data should acknowledge the original authors of the
structural data.