Information card for entry 2021124

Structure parameters

• Chemical name: (5<i>E</i>)-3-{3-[(<i>E</i>)-(2,3-Dihydroxybenzylidene)amino]benzylidene}-5-(2-fluorobenzylidene)-1-methylpiperidin-4-one
• Formula: C27 H23 F N2 O3
• Calculated formula: C27 H23 F N2 O3
• SMILES: C1(=O)C(=C\c2c(cccc2)F)\CN(C/C1=C\c1cc(ccc1)/N=C/c1c(c(ccc1)O)O)C
• Title of publication: Novel asymmetric 3,5-bis(arylidene)piperidin-4-one derivatives: synthesis, crystal structures and cytotoxicity
• Authors of publication: Yao, Binrong; Li, Ning; Wang, Chunhua; Hou, Guige; Meng, Qingguo; Yan, Ke
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• a: 7.0689 ± 0.0005 Å
• b: 8.2072 ± 0.0005 Å
• c: 20.1397 ± 0.0016 Å
• α: 94.401 ± 0.006°
• β: 97.829 ± 0.006°
• γ: 106.575 ± 0.006°
• Cell volume: 1101.18 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0702
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes