Information card for entry 2226500

Structure parameters

• Chemical name: (2<i>E</i>)-1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenylprop-2-en-1-one
• Formula: C25 H18 Cl N O
• Calculated formula: C25 H18 Cl N O
• SMILES: Clc1cc2c(c(C(=O)/C=C/c3ccccc3)c(nc2cc1)C)c1ccccc1
• Title of publication: (2<i>E</i>)-1-(6-Chloro-2-methyl-4-phenylquinolin-3-yl)-3-phenylprop-2-en-1-one
• Authors of publication: Viji, A. J.; Sarveswari, S.; Vijayakumar, V.; Tan, Kong Wai; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1780
• a: 9.925 ± 0.0009 Å
• b: 11.1001 ± 0.0009 Å
• c: 17.4651 ± 0.0015 Å
• α: 90°
• β: 97.25 ± 0.001°
• γ: 90°
• Cell volume: 1908.7 ± 0.3 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: 0.084
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes