Information card for entry 8104659

Structure parameters

• Formula: C24 H16 F N3 O2
• Calculated formula: C24 H16 F N3 O2
• Title of publication: The crystal structure of 5-benzoyl-1-[(E)-(4-fluorobenzylidene)amino]-4-phenylpyrimidin-2(1H)-one, C24H16FN3O2
• Authors of publication: Atioğlu, Zeliha; Karataş, Halis; Kökbudak, Zülbiye
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 1035 - 1037
• a: 6.0024 ± 0.0005 Å
• b: 19.474 ± 0.002 Å
• c: 8.3531 ± 0.0008 Å
• α: 90°
• β: 91.75 ± 0.009°
• γ: 90°
• Cell volume: 975.94 ± 0.16 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No