Information card for entry 2238474

Structure parameters

• Chemical name: (+)-(<i>S</i>)-<i>N</i>-[(1-Benzothiophen-2-yl)methylidene]-1-(naphthalen-1-yl)ethylamine
• Formula: C21 H17 N S
• Calculated formula: C21 H17 N S
• SMILES: C[C@@H](c1cccc2c1cccc2)/N=C/c1cc2c(s1)cccc2
• Title of publication: (+)-(<i>S</i>)-<i>N</i>-[(1-Benzothiophen-2-yl)methylidene]-1-(naphthalen-1-yl)ethylamine
• Authors of publication: Hernández-Téllez, Guadalupe; Portillo-Moreno, Oscar; Gutiérrez, René; Rios-Merino, Francisco J.; Mendoza, Angel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1480
• a: 5.6423 ± 0.0003 Å
• b: 8.0808 ± 0.0004 Å
• c: 36.3864 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1659.01 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0506
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes