Information card for entry 2217249

Structure parameters

• Common name: 4-Methyl-1-Phenylquinolinone
• Chemical name: 4-Methyl-1-phenylquinolin-2(1H)-one
• Formula: C16 H13 N O
• Calculated formula: C16 H13 N O
• SMILES: n1(c2c(cccc2)c(cc1=O)C)c1ccccc1
• Title of publication: 4-Methyl-1-phenylquinolin-2(1<i>H</i>)-one
• Authors of publication: Petar Yotov Petrov; Malinka Stoyanova; Boris Shivachev
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: o72 - o72
• a: 8.984 ± 0.002 Å
• b: 14.194 ± 0.004 Å
• c: 10.1785 ± 0.0016 Å
• α: 90°
• β: 106.631 ± 0.015°
• γ: 90°
• Cell volume: 1243.7 ± 0.5 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 4
• 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: 0.1482
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes