Information card for entry 2242978

Structure parameters

• Chemical name: enzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
• Formula: C24 H19 N O3
• Calculated formula: C24 H19 N O3
• SMILES: O(Cc1ccccc1)C(=O)c1c2ccccc2n(c(=O)c1)Cc1ccccc1
• Title of publication: Crystal structure and DFT study of benzyl 1-benzyl-2-oxo-1,2-dihydroquinoline-4-carboxylate
• Authors of publication: Bouzian, Younos; Faizi, Md. Serajul Haque; Mague, Joel T.; Otmani, Bouchaib El; Dege, Necmi; Karrouchi, Khalid; Essassi, El Mokhtar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 7
• Pages of publication: 980 - 983
• a: 5.6101 ± 0.0004 Å
• b: 19.5523 ± 0.0011 Å
• c: 17.2761 ± 0.0011 Å
• α: 90°
• β: 96.969 ± 0.005°
• γ: 90°
• Cell volume: 1881 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes