Information card for entry 2238360

Structure parameters

• Chemical name: (2<i>E</i>)-3-(2-Chloro-8-methylquinolin-3-yl)-1-(2,4-dimethylquinolin-3-yl)prop-2-en-1-one
• Formula: C24 H19 Cl N2 O
• Calculated formula: C24 H19 Cl N2 O
• SMILES: Clc1nc2c(cc1/C=C/C(=O)c1c(C)nc3c(c1C)cccc3)cccc2C
• Title of publication: (2<i>E</i>)-3-(2-Chloro-8-methylquinolin-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: o1275
• a: 7.415 ± 0.0005 Å
• b: 9.9045 ± 0.0006 Å
• c: 14.0696 ± 0.0009 Å
• α: 71.072 ± 0.005°
• β: 88.427 ± 0.005°
• γ: 72.552 ± 0.005°
• Cell volume: 929.66 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes