Information card for entry 7244694

Structure parameters

• Common name: Apalutamide-dimethylacetamide-1:1
• Formula: C25 H24 F4 N6 O3 S
• Calculated formula: C25 H24 F4 N6 O3 S
• Title of publication: Understanding the thermal stability of apalutamide crystalline solvates through crystal structure analyses and computational studies
• Authors of publication: Prashanth, Jupally; Arikatla, Sivalakshmi Devi; Surov, Artem; Voronin, Alexander P.; Andrei, Churakov; Perlovich, German L.; Balasubramanian, Sridhar
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 22.5794 ± 0.0015 Å
• b: 13.3362 ± 0.0007 Å
• c: 18.2192 ± 0.0011 Å
• α: 90°
• β: 90.944 ± 0.002°
• γ: 90°
• Cell volume: 5485.5 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.1064
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1424
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No