Information card for entry 2230741

Structure parameters

• Common name: (<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one
• Chemical name: (<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one
• Formula: C14 H12 N2 O
• Calculated formula: C14 H12 N2 O
• SMILES: O=C(c1ccc(N)cc1)/C=C/c1cccnc1
• Title of publication: (<i>E</i>)-1-(4-Aminophenyl)-3-(pyridin-3-yl)prop-2-en-1-one
• Authors of publication: Chantrapromma, Suchada; Kobkeatthawin, Thawanrat; Chanawanno, Kullapa; Wisitsak, Pitikan; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1770 - o1771
• a: 12.0046 ± 0.0012 Å
• b: 7.9329 ± 0.0009 Å
• c: 22.925 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2183.2 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes