Information card for entry 2217460

Structure parameters

• Chemical name: 3-[(E)-2,4-Dichlorobenzylidene]-1-methylpiperidin-4-one
• Formula: C13 H13 Cl2 N O
• Calculated formula: C13 H13 Cl2 N O
• SMILES: CN1CCC(=O)C(=C/c2c(cc(cc2)Cl)Cl)/C1
• Title of publication: 3-[(<i>E</i>)-2,4-Dichlorobenzylidene]-1-methylpiperidin-4-one
• Authors of publication: D. Gayathri; D. Velmurugan; R. Ranjith Kumar; S. Perumal; K. Ravikumar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o520 - o520
• a: 12.2013 ± 0.0009 Å
• b: 8.5901 ± 0.0006 Å
• c: 12.6391 ± 0.0009 Å
• α: 90°
• β: 92.997 ± 0.001°
• γ: 90°
• Cell volume: 1322.9 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes