Information card for entry 2238368

Structure parameters

• Chemical name: (2<i>E</i>)-3-(2-Chloro-8-methylquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-3-yl)prop-2-en-1-one
• Formula: C29 H21 Cl N2 O
• Calculated formula: C29 H21 Cl N2 O
• SMILES: Clc1nc2c(cc1/C=C/C(=O)c1c(C)nc3c(c1c1ccccc1)cccc3)cccc2C
• Title of publication: (2<i>E</i>)-3-(2-Chloro-8-methylquinolin-3-yl)-1-(2-methyl-4-phenylquinolin-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: o1318
• a: 10.9837 ± 0.0002 Å
• b: 21.0604 ± 0.0003 Å
• c: 9.3927 ± 0.0001 Å
• α: 90°
• β: 90.009 ± 0.001°
• γ: 90°
• Cell volume: 2172.73 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes