Information card for entry 2229683

Structure parameters

• Chemical name: (2<i>E</i>)-3-(4-Chlorophenyl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one
• Formula: C20 H16 Cl N O
• Calculated formula: C20 H16 Cl N O
• SMILES: Clc1ccc(cc1)/C=C/C(=O)c1c(C)nc2c(c1C)cccc2
• Title of publication: (2<i>E</i>)-3-(4-Chlorophenyl)-1-(2,4-dimethylquinolin-3-yl)prop-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: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o796 - o797
• a: 11.3172 ± 0.0005 Å
• b: 12.0268 ± 0.0004 Å
• c: 12.6634 ± 0.0005 Å
• α: 111.318 ± 0.003°
• β: 91.62 ± 0.003°
• γ: 94.581 ± 0.003°
• Cell volume: 1597.5 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes