Information card for entry 2238175

Structure parameters

• Chemical name: (2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: COc1cc(OC)c(cc1/C=C/C(=O)c1ccccn1)OC
• Title of publication: (2<i>E</i>)-1-(Pyridin-2-yl)-3-(2,4,5-trimethoxyphenyl)prop-2-en-1-one
• Authors of publication: Chantrapromma, Suchada; Suwunwong, Thitipone; Boonnak, Nawong; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1076 - o1077
• a: 8.4047 ± 0.0003 Å
• b: 8.7285 ± 0.0003 Å
• c: 19.5086 ± 0.0007 Å
• α: 90°
• β: 94.113 ± 0.002°
• γ: 90°
• Cell volume: 1427.47 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1081
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes