Information card for entry 2015292

Structure parameters

• Chemical name: 2-(4-methoxyanilino)-1,2-diphenylethanone
• Formula: C21 H19 N O2
• Calculated formula: C21 H19 N O2
• SMILES: N(C(C(=O)c1ccccc1)c1ccccc1)c1ccc(OC)cc1
• Title of publication: 2-(4-Chloroanilino)- and 2-(4-methoxyanilino)-1,2-diphenylethanone
• Authors of publication: Batsanov, Andrei S.; Goeta, Andrés E.; Howard, Judith A. K.; Soto, Bernardino; Au-Alvarez, Oscar
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o304 - o306
• a: 5.823 ± 0.0008 Å
• b: 10.069 ± 0.001 Å
• c: 27.316 ± 0.003 Å
• α: 90°
• β: 91.75 ± 0.01°
• γ: 90°
• Cell volume: 1600.8 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No