Information card for entry 2236200

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>-[(2-Ethoxynaphthalen-1-yl)methylidene]-2-ethylaniline
• Formula: C21 H21 N O
• Calculated formula: C21 H21 N O
• SMILES: c1(c(ccc2ccccc12)OCC)/C=N/c1ccccc1CC
• Title of publication: (<i>E</i>)-<i>N</i>-[(2-Ethoxynaphthalen-1-yl)methylidene]-2-ethylaniline
• Authors of publication: Kargılı, Hakan; Macit, Mustafa; Alpaslan, Gökhan; Kazak, Canan; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3176
• a: 11.6011 ± 0.0011 Å
• b: 20.457 ± 0.003 Å
• c: 7.4335 ± 0.0007 Å
• α: 90°
• β: 101.303 ± 0.008°
• γ: 90°
• Cell volume: 1729.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1129
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2112
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes