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Information card for entry 2023371
Preview
| Coordinates | 2023371.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | Mebendazolium and dihydrogen phosphate–phosphoric acid (1/1) |
|---|---|
| Chemical name | 5-Benzoyl-2-[(methoxycarbonyl)amino]-1<i>H</i>-1,3-benzodiazol-3-ium dihydrogen phosphate–phosphoric acid (1/1) |
| Formula | C16 H19 N3 O11 P2 |
| Calculated formula | C16 H19 N3 O11 P2 |
| Title of publication | Supramolecular assembly of mebendazolium and dihydrogen phosphate ions in a new anthelmintic salt |
| Authors of publication | Gutiérrez, Eduardo L.; Russo, Marcos G.; Narda, Griselda E.; Brusau, Elena V.; Ayala, Alejandro P.; Ellena, Javier |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 3 |
| a | 4.7217 ± 0.0003 Å |
| b | 26.167 ± 0.002 Å |
| c | 16.7888 ± 0.0012 Å |
| α | 90° |
| β | 98.082 ± 0.005° |
| γ | 90° |
| Cell volume | 2053.7 ± 0.3 Å3 |
| Cell temperature | 301.57 K |
| Ambient diffraction temperature | 301.57 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 | 0.0576 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1049 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297593 (current) | 2025-02-05 | cif/ Adding structures of 2023371 via cif-deposit CGI script. |
2023371.cif |
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Users of the data should acknowledge the original authors of the
structural data.