Information card for entry 2230063

Structure parameters

• Chemical name: (<i>S</i>)-(+)-<i>N</i>-Benzylidene-1-(1-naphthyl)ethylamine
• Formula: C19 H17 N
• Calculated formula: C19 H17 N
• SMILES: N(=C\c1ccccc1)/[C@@H](C)c1cccc2ccccc12
• Title of publication: (<i>S</i>)-(+)-<i>N</i>-Benzylidene-1-(1-naphthyl)ethylamine
• Authors of publication: Bernès, Sylvain; Hernández, Guadalupe; Vázquez, Jaime; Tovar, Alejandra; Gutiérrez, René
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1257
• a: 8.0761 ± 0.0008 Å
• b: 7.7874 ± 0.0008 Å
• c: 11.776 ± 0.0011 Å
• α: 90°
• β: 95.033 ± 0.007°
• γ: 90°
• Cell volume: 737.76 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes