Information card for entry 4519495

Structure parameters

• 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: 19.3767 ± 0.0012 Å
• b: 8.1785 ± 0.0005 Å
• c: 11.7473 ± 0.0008 Å
• α: 90°
• β: 94.963 ± 0.004°
• γ: 90°
• Cell volume: 1854.6 ± 0.2 ų
• 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: 0.1054
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2097
• Weighted residual factors for all reflections included in the refinement: 0.2274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes