Information card for entry 2217732

Structure parameters

• Chemical name: 3-[(E)-4-Methoxybenzylidene]-1-methylpiperidin-4-one
• Formula: C14 H17 N O2
• Calculated formula: C14 H17 N O2
• SMILES: CN1CCC(=O)/C(=C/c2ccc(cc2)OC)C1
• Title of publication: 3-[(<i>E</i>)-4-Methoxybenzylidene]-1-methylpiperidin-4-one
• Authors of publication: Gayathri, D.; Velmurugan, D.; Kumar, R. Ranjith; Perumal, S.; Ravikumar, K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o552
• a: 7.5212 ± 0.0007 Å
• b: 12.4097 ± 0.0011 Å
• c: 13.5062 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1260.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0484
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes