Information card for entry 7242513

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: 7.5763 ± 0.0008 Å
• b: 8.5961 ± 0.0009 Å
• c: 10.7211 ± 0.001 Å
• α: 100.721 ± 0.003°
• β: 99.964 ± 0.003°
• γ: 91.329 ± 0.004°
• Cell volume: 674.59 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No