Information card for entry 2237500

Structure parameters

• Chemical name: (2<i>E</i>)-1-(2,4-Dimethylquinolin-3-yl)-3-phenylprop-2-en-1-one
• Formula: C20 H17 N O
• Calculated formula: C20 H17 N O
• SMILES: O=C(c1c(c2c(nc1C)cccc2)C)/C=C/c1ccccc1
• Title of publication: (2<i>E</i>)-1-(2,4-Dimethylquinolin-3-yl)-3-phenylprop-2-en-1-one
• Authors of publication: Prasath, R.; Bhavana, P.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o428 - o429
• a: 11.1295 ± 0.0009 Å
• b: 11.5764 ± 0.0008 Å
• c: 13.3989 ± 0.0011 Å
• α: 96.176 ± 0.006°
• β: 112.9 ± 0.008°
• γ: 96.533 ± 0.006°
• Cell volume: 1558 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.14
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes