Information card for entry 7057440

Structure parameters

• Common name: 6-(pyrrolidin-1-yl)toluyl-quinoline
• Chemical name: '6-(pyrrolidin-1-yl)-2-(p-tolyl)-4-(trifluoromethyl)quinoline'
• Formula: C21 H19 F3 N2
• Calculated formula: C21 H19 F3 N2
• Title of publication: New 2-(aryl/heteroaryl)-6-(morpholin-4-yl/pyrrolidin-1-yl)-(4-trifluoromethyl)quinolines: synthesis via Buchwald‒Hartwig amination, photophysics, and biomolecular binding properties
• Authors of publication: Bonacorso, Helio G.; Rodrigues, Melissa B.; Iglesias, Bernardo A.; da Silveira, Carolina H.; Feitosa, Sarah C.; Rosa, Wilian C.; Martins, Marcos A. P.; Frizzo, Clarissa P.; Zanatta, Nilo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 10024
• a: 7.597 ± 0.005 Å
• b: 10.743 ± 0.005 Å
• c: 20.703 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1689.7 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No