Information card for entry 2242236

Structure parameters

• Chemical name: <i>N</i>-(5-Acetyl-2-methylphenyl)quinoline-2-carboxamide
• Formula: C19 H16 N2 O2
• Calculated formula: C19 H16 N2 O2
• SMILES: O=C(Nc1cc(ccc1C)C(=O)C)c1nc2c(cc1)cccc2
• Title of publication: Crystal structures of three <i>N</i>-(3-acetylphenyl)quinoline-2-carboxamides
• Authors of publication: Peña-Solórzano, Diana; König, Burkhard; Sierra, Cesar A.; Ochoa-Puentes, Cristian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 804 - 808
• a: 4.5787 ± 0.0002 Å
• b: 14.7986 ± 0.0007 Å
• c: 22.3732 ± 0.0012 Å
• α: 90°
• β: 92.13 ± 0.005°
• γ: 90°
• Cell volume: 1514.92 ± 0.13 ų
• Cell temperature: 123.01 ± 0.11 K
• Ambient diffraction temperature: 123.01 ± 0.11 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes