Information card for entry 2312650
| 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 |
11 |
| 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 |
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The link is:
https://www.crystallography.net/2312650.html
