Information card for entry 2205442

Structure parameters

• Chemical name: (2-Methoxy-5-methylphenyl) phenyl ketone
• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• SMILES: c1(c(ccc(c1)C)OC)C(=O)c1ccccc1
• Title of publication: 2-Methoxy-5-methylphenyl phenyl ketone
• Authors of publication: Malathy Sony, S. M.; Charles, P.; Ponnuswamy, M. N.; Nethaji, M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o801 - o803
• a: 10.5883 ± 0.0018 Å
• b: 11.5887 ± 0.0018 Å
• c: 10.014 ± 0.0017 Å
• α: 90°
• β: 92.904 ± 0.003°
• γ: 90°
• Cell volume: 1227.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1351
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No