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Information card for entry 4519494
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| Coordinates | 4519494.cif |
|---|---|
| Structure factors | 4519494.hkl |
| Original paper (by DOI) | HTML |
| Common name | Riluzole |
|---|---|
| Chemical name | 6-(trifluoromethoxy)-1,3-benzothiazol-2-amine |
| Formula | C8 H5 F3 N2 O S |
| Calculated formula | C8 H5 F3 N2 O S |
| Title of publication | Hiding in Plain Sight: Polymorphs of Riluzole |
| Authors of publication | Rahman Al Ahmad, Abdel; Maris, Thierry; Wuest, James D. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2025 |
| Journal volume | 25 |
| Pages of publication | 3029 - 3036 |
| a | 19.2771 ± 0.001 Å |
| b | 8.1248 ± 0.0004 Å |
| c | 11.7665 ± 0.0006 Å |
| α | 90° |
| β | 101.502 ± 0.003° |
| γ | 90° |
| Cell volume | 1805.89 ± 0.16 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| 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 | 0.0813 |
| Residual factor for significantly intense reflections | 0.0547 |
| Weighted residual factors for significantly intense reflections | 0.1414 |
| Weighted residual factors for all reflections included in the refinement | 0.1586 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.34139 Å |
| Diffraction radiation type | GaKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299739 (current) | 2025-05-20 | cif/ hkl/ Adding structures of 4519494 via cif-deposit CGI script. |
4519494.cif 4519494.hkl |
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Users of the data should acknowledge the original authors of the
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