Information card for entry 2203961

Structure parameters

• Chemical name: 1-[(4-Acetyl-phenylamino)-methylene]naphthalen-2(1H)-one
• Formula: C19 H15 N O2
• Calculated formula: C19 H15 N O2
• SMILES: c1(ccc2ccccc2c1/C=[NH+]\c1ccc(cc1)C(=O)C)[O-]
• Title of publication: 1-[(4-Acetylphenylamino)methylene]naphthalen-2(1<i>H</i>)-one
• Authors of publication: Yüce, Süheyla; Özek, Arzu; Albayrak, Çiǧdem; Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: o1217 - o1218
• a: 6.7815 ± 0.0004 Å
• b: 14.0948 ± 0.0012 Å
• c: 15.0855 ± 0.001 Å
• α: 90°
• β: 90.05 ± 0.005°
• γ: 90°
• Cell volume: 1441.93 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0665
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No