Information card for entry 2222492

Structure parameters

• Chemical name: (<i>S</i>)-(+)-1-(1-Naphthyl)-1-(2-thienylmethylene)ethylamine
• Formula: C17 H15 N S
• Calculated formula: C17 H15 N S
• SMILES: s1cccc1/C=N/[C@@H](C)c1cccc2ccccc12
• Title of publication: (<i>S</i>)-(+)-1-(1-Naphthyl)-1-(2-thienylmethylene)ethylamine
• Authors of publication: Espinosa Leija, Armando; Hernández, Guadalupe; Portillo, Roberto; Gutiérrez, René; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1651
• a: 5.5274 ± 0.0014 Å
• b: 7.99 ± 0.002 Å
• c: 31.517 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1391.9 ± 0.6 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 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: 0.1251
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.564
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes