Information card for entry 2225189

Structure parameters

• Chemical name: (<i>Z</i>)-3-(2-Methoxyanilino)-1-phenylbut-2-en-1-one
• Formula: C17 H17 N O2
• Calculated formula: C17 H17 N O2
• SMILES: O(c1c(N/C(C)=C\C(=O)c2ccccc2)cccc1)C
• Title of publication: (<i>Z</i>)-3-(2-Methoxyanilino)-1-phenylbut-2-en-1-one
• Authors of publication: Zhang, Li-Ping; Qi, Li-Yun; Fang, Yun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o576
• a: 19.125 ± 0.002 Å
• b: 19.125 ± 0.002 Å
• c: 7.9993 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2925.9 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1197
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes