Information card for entry 2237488

Structure parameters

• Chemical name: (2<i>E</i>)-1-(2-Methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-yl)prop-2-en-1-one
• Formula: C24 H19 N O S
• Calculated formula: C24 H19 N O S
• SMILES: s1c(/C=C/C(=O)c2c(c3c(nc2C)cccc3)c2ccccc2)c(cc1)C
• Title of publication: (2<i>E</i>)-1-(2-Methyl-4-phenylquinolin-3-yl)-3-(3-methylthiophen-2-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: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o426 - o427
• a: 10.0815 ± 0.0007 Å
• b: 10.2956 ± 0.0007 Å
• c: 10.5403 ± 0.0007 Å
• α: 71.013 ± 0.006°
• β: 78.697 ± 0.005°
• γ: 70.412 ± 0.006°
• Cell volume: 969.99 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes