Information card for entry 7246788

Structure parameters

• Common name: Nilutamide Hydrate (1:0.57)
• Formula: C12 H10.57 F3 N3 O4.29
• Calculated formula: C12 H10.57 F3 N3 O4.285
• Title of publication: Polymorphs, cocrystal and hydrate of nilutamide
• Authors of publication: Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 24
• Pages of publication: 3501 - 3513
• a: 10.2797 ± 0.001 Å
• b: 11.1802 ± 0.0011 Å
• c: 13.2382 ± 0.0013 Å
• α: 86.915 ± 0.003°
• β: 73.762 ± 0.003°
• γ: 68.854 ± 0.003°
• Cell volume: 1360.5 ± 0.2 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: 0.0667
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No