Information card for entry 7160844

Structure parameters

• Chemical name: 3-(5-fluoro-2-(4-methyl-3-oxo-3,4-dihydroquinoxalin-2-yl)phenyl)-1-methylpyrrolidine-2,5-dione
• Formula: C20 H16 F N3 O3
• Calculated formula: C20 H16 F N3 O3
• Title of publication: Ru(II)-Catalyzed Site-Selective N-Directed C(sp²)–H Alkylation of Quinoxalinones with Maleimide
• Authors of publication: Monika, Monika; Kumar, Prashant; Singh, Brajendra Kumar
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 14.927 ± 0.0008 Å
• b: 11.3024 ± 0.0005 Å
• c: 20.493 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3457.4 ± 0.3 ų
• Cell temperature: 224 ± 100 K
• Ambient diffraction temperature: 224 ± 100 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1026
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No