Information card for entry 2242238

Structure parameters

• Chemical name: <i>N</i>-(5-Acetyl-2-ethynylphenyl)quinoline-2-carboxamide
• Formula: C20 H14 N2 O2
• Calculated formula: C20 H14 N2 O2
• SMILES: O=C(Nc1cc(ccc1C#C)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: 7.3075 ± 0.0006 Å
• b: 8.2605 ± 0.0004 Å
• c: 13.8196 ± 0.0009 Å
• α: 92.734 ± 0.005°
• β: 100.608 ± 0.006°
• γ: 108.989 ± 0.006°
• Cell volume: 770.11 ± 0.1 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 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: 0.0802
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes