Information card for entry 2200022

Structure parameters

• Chemical name: 8-(2-Phenylethylamino)quinoline
• Formula: C17 H16 N2
• Calculated formula: C17 H16 N2
• SMILES: n1cccc2cccc(c12)NCCc1ccccc1
• Title of publication: 8-(2-Phenylethylamino)quinoline
• Authors of publication: Lynch, Daniel E.; McClenaghan, Ian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: o4 - o5
• a: 10.1202 ± 0.0003 Å
• b: 9.9645 ± 0.0003 Å
• c: 13.8592 ± 0.0005 Å
• α: 90°
• β: 110.774 ± 0.0011°
• γ: 90°
• Cell volume: 1306.73 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.076
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes