Information card for entry 2238359

Structure parameters

• Chemical name: (2<i>E</i>)-3-(6-Chloro-2-methoxyquinolin-3-yl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one
• Formula: C24 H19 Cl N2 O2
• Calculated formula: C24 H19 Cl N2 O2
• SMILES: COc1nc2ccc(cc2cc1/C=C/C(=O)c1c(C)nc2c(c1C)cccc2)Cl
• Title of publication: (2<i>E</i>)-3-(6-Chloro-2-methoxyquinolin-3-yl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one
• Authors of publication: Prasath, R.; Sarveswari, S.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1274
• a: 13.1605 ± 0.0003 Å
• b: 10.4876 ± 0.0002 Å
• c: 14.8786 ± 0.0003 Å
• α: 90°
• β: 106.354 ± 0.002°
• γ: 90°
• Cell volume: 1970.49 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes