Information card for entry 2230139

Structure parameters

• Chemical name: (3<i>E</i>,5<i>E</i>)-1-Acryloyl-3,5-bis(2-chlorobenzylidene)piperidin-4-one
• Formula: C22 H17 Cl2 N O2
• Calculated formula: C22 H17 Cl2 N O2
• SMILES: C=CC(=O)N1CC(=C\c2ccccc2Cl)/C(=O)/C(=C/c2ccccc2Cl)C1
• Title of publication: (3<i>E</i>,5<i>E</i>)-1-Acryloyl-3,5-bis(2-chlorobenzylidene)piperidin-4-one
• Authors of publication: Basiri, Alireza; Murugaiyah, Vikneswaran; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1228 - o1229
• a: 9.1426 ± 0.0005 Å
• b: 14.3459 ± 0.0008 Å
• c: 16.6637 ± 0.0009 Å
• α: 108.348 ± 0.001°
• β: 102.695 ± 0.001°
• γ: 103.649 ± 0.001°
• Cell volume: 1910.71 ± 0.18 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes