Information card for entry 2243162

Structure parameters

• Chemical name: Ethyl 2-{4-[(2-ethoxy-2-oxoethyl)(phenyl)carbamoyl]-2-oxo-1,2-\ dihydroquinolin-1-yl}acetate
• Formula: C24 H24 N2 O6
• Calculated formula: C24 H24 N2 O6
• Title of publication: Crystal structure, Hirshfeld surface analysis and DFT studies of ethyl 2-{4-[(2-ethoxy-2-oxoethyl)(phenyl)carbamoyl]-2-oxo-1,2-dihydroquinolin-1-yl}acetate
• Authors of publication: Filali Baba, Yassir; Hayani, Sonia; Hökelek, Tuncer; Kaur, Manpreet; Jasinski, Jerry; Sebbar, Nada Kheira; Kandri Rodi, Youssef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1753 - 1758
• a: 16.9368 ± 0.0005 Å
• b: 15.413 ± 0.0004 Å
• c: 18.4562 ± 0.0006 Å
• α: 90°
• β: 109.254 ± 0.004°
• γ: 90°
• Cell volume: 4548.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes