Information card for entry 2234664

Structure parameters

• Chemical name: (<i>E</i>)-1-(2,4-Dimethylquinolin-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
• Formula: C21 H19 N O
• Calculated formula: C21 H19 N O
• SMILES: Cc1ccc(cc1)/C=C/C(=O)c1c(C)nc2c(c1C)cccc2
• Title of publication: (<i>E</i>)-1-(2,4-Dimethylquinolin-3-yl)-3-(4-methylphenyl)prop-2-en-1-one
• Authors of publication: Prasath, R.; Bhavana, P.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1501
• a: 11.4915 ± 0.0004 Å
• b: 12.0673 ± 0.0005 Å
• c: 13.0695 ± 0.0006 Å
• α: 111.864 ± 0.004°
• β: 92.141 ± 0.003°
• γ: 93.705 ± 0.003°
• Cell volume: 1674.79 ± 0.13 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: 0.056
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes