Information card for entry 7248831

Structure parameters

• Formula: C23 H18 F4 N5 O2 S
• Calculated formula: C23 H18 F4 N5 O2 S
• Title of publication: Design of Pyrazine Cocrystals of Enzalutamide –a lead from 1, 4-dioxane Solvates
• Authors of publication: Prashanth, Jupally; Voronin, Alexander P.; Surov, Artem; Balasubramanian, Sridhar
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 8.2956 ± 0.0007 Å
• b: 9.1182 ± 0.0008 Å
• c: 15.2824 ± 0.0014 Å
• α: 91.758 ± 0.003°
• β: 100.425 ± 0.003°
• γ: 92.84 ± 0.003°
• Cell volume: 1134.57 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No