Information card for entry 2230819

Structure parameters

• Chemical name: (<i>Z</i>)-4-(2-Naphthylamino)pent-3-en-2-one
• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• SMILES: O=C(/C=C(\Nc1cc2ccccc2cc1)C)C
• Title of publication: (<i>Z</i>)-4-(2-Naphthylamino)pent-3-en-2-one
• Authors of publication: Harrad, Mohamed Anoir; Boualy, Brahim; Oudahmane, Abdelghani; Avignant, Daniel; Rizzoli, Corrado
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1818
• a: 11.2417 ± 0.0018 Å
• b: 8.2532 ± 0.001 Å
• c: 26.57 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2465.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes