Information card for entry 2241305

Structure parameters

• Chemical name: 3,5-Bis[(<i>E</i>)-3-hydroxybenzylidene]-1-methylpiperidin-4-one
• Formula: C20 H19 N O3
• Calculated formula: C20 H19 N O3
• SMILES: Oc1cccc(c1)/C=C\1C(=O)/C(=C/c2cc(O)ccc2)CN(C1)C
• Title of publication: Crystal structures of 3,5-bis[(<i>E</i>)-3-hydroxybenzylidene]-1-methylpiperidin-4-one and 3,5-bis[(<i>E</i>)-2-chlorobenzylidene]-1-methylpiperidin-4-one
• Authors of publication: Eryanti, Yum; Zamri, Adel; Herlina, Tati; Supratman, Unang; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1488 - 1492
• a: 7.4852 ± 0.0006 Å
• b: 9.8588 ± 0.0009 Å
• c: 11.6115 ± 0.001 Å
• α: 111.792 ± 0.0017°
• β: 96.7983 ± 0.0018°
• γ: 92.8848 ± 0.0017°
• Cell volume: 785.9 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes