Information card for entry 2233675

Structure parameters

• Chemical name: (<i>E</i>)-3-[4-(Diphenylamino)phenyl]-1-(pyridin-2-yl)prop-2-en-1-one
• Formula: C26 H20 N2 O
• Calculated formula: C26 H20 N2 O
• SMILES: c1(ccccc1)N(c1ccccc1)c1ccc(cc1)/C=C/C(=O)c1ccccn1
• Title of publication: (<i>E</i>)-3-[4-(Diphenylamino)phenyl]-1-(pyridin-2-yl)prop-2-en-1-one
• Authors of publication: Fan, Cong-Bin; Wang, Xiao-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o417
• a: 12.0342 ± 0.0003 Å
• b: 17.4069 ± 0.0004 Å
• c: 9.4392 ± 0.0002 Å
• α: 90°
• β: 91.757 ± 0.002°
• γ: 90°
• Cell volume: 1976.38 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.1672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes