Information card for entry 2240312

Structure parameters

• Chemical name: 3-(Morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one
• Formula: C18 H20 N2 O2
• Calculated formula: C18 H20 N2 O2
• SMILES: c1ccccc1C(=O)CC(c1ccccn1)N1CCOCC1
• Title of publication: Crystal structure of 3-(morpholin-4-yl)-1-phenyl-3-(pyridin-2-yl)propan-1-one
• Authors of publication: Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: o24 - o25
• a: 12.4554 ± 0.0006 Å
• b: 8.2204 ± 0.0004 Å
• c: 30.6681 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3140.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes