Information card for entry 7246789

Structure parameters

• Common name: Nilutamide-Adenine cocrystal
• Formula: C17 H15 F3 N8 O4
• Calculated formula: C17 H15 F3 N8 O4
• 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: 7.3886 ± 0.0005 Å
• b: 12.2118 ± 0.0008 Å
• c: 20.8355 ± 0.0013 Å
• α: 90°
• β: 98.845 ± 0.003°
• γ: 90°
• Cell volume: 1857.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No