Information card for entry 2233740

Structure parameters

• Chemical name: 2-Benzyl-3-phenyl-1-(pyridin-2-yl)propan-1-one
• Formula: C21 H19 N O
• Calculated formula: C21 H19 N O
• SMILES: O=C(c1ncccc1)C(Cc1ccccc1)Cc1ccccc1
• Title of publication: 2-Benzyl-3-phenyl-1-(pyridin-2-yl)propan-1-one
• Authors of publication: Naveed Umar, Muhammad; Shoaib, Mohammad; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o575
• a: 15.1569 ± 0.0003 Å
• b: 5.6333 ± 0.0001 Å
• c: 19.5468 ± 0.0004 Å
• α: 90°
• β: 109.295 ± 0.002°
• γ: 90°
• Cell volume: 1575.23 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes