Information card for entry 7242514

Structure parameters

• Formula: C12 H10 F3 N3 O4
• Calculated formula: C12 H10 F3 N3 O4
• Title of publication: Polymorphic forms of antiandrogenic drug nilutamide: structural and thermodynamic aspects
• Authors of publication: Surov, Artem Olegovich; Voronin, Alexander P.; Drozd, Ksenia V.; Gruzdev, Matvey Sergeevich; Prashanth, Jupally; Balasubramanian, Sridhar; Perlovich, German L.
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2021
• a: 11.1754 ± 0.0005 Å
• b: 10.0868 ± 0.0004 Å
• c: 23.6466 ± 0.001 Å
• α: 90°
• β: 101.827 ± 0.0019°
• γ: 90°
• Cell volume: 2608.95 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No