Information card for entry 2242237

Structure parameters

• Chemical name: <i>N</i>-(5-Acetyl-2-bromophenyl)quinoline-2-carboxamide
• Formula: C18 H13 Br N2 O2
• Calculated formula: C18 H13 Br N2 O2
• SMILES: Brc1c(NC(=O)c2nc3ccccc3cc2)cc(cc1)C(=O)C
• 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: 4.29848 ± 0.00012 Å
• b: 11.6353 ± 0.0003 Å
• c: 15.5888 ± 0.0004 Å
• α: 103.788 ± 0.002°
• β: 95.515 ± 0.002°
• γ: 96.195 ± 0.002°
• Cell volume: 746.76 ± 0.04 ų
• Cell temperature: 123.1 ± 0.4 K
• Ambient diffraction temperature: 123.1 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes