Information card for entry 2243924

Structure parameters

• Chemical name: 1-Nonyl-3-phenylquinoxalin-2-one
• Formula: C23 H28 N2 O
• Calculated formula: C23 H28 N2 O
• Title of publication: Crystal structure, Hirshfeld surface analysis and density functional theory study of 1-nonyl-3-phenylquinoxalin-2-one
• Authors of publication: Abad, Nadeem; Chkirate, Karim; Al-Ostoot, Fares Hezam; Van Meervelt, Luc; Lahmidi, Sanae; Ferfra, Souad; Ramli, Youssef; Essassi, El Mokhtar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 10
• Pages of publication: 1037 - 1042
• a: 5.2353 ± 0.0002 Å
• b: 13.5065 ± 0.0005 Å
• c: 14.3158 ± 0.0005 Å
• α: 98.045 ± 0.003°
• β: 98.327 ± 0.003°
• γ: 91.255 ± 0.003°
• Cell volume: 990.83 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0923
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.2178
• Weighted residual factors for all reflections included in the refinement: 0.2402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes