Information card for entry 2237760

Structure parameters

• Chemical name: 2-Methyl-2-phenyl-1-(pyrrolidin-1-yl)propan-1-one
• Formula: C14 H19 N O
• Calculated formula: C14 H19 N O
• SMILES: O=C(C(c1ccccc1)(C)C)N1CCCC1
• Title of publication: 2-Methyl-2-phenyl-1-(pyrrolidin-1-yl)propan-1-one
• Authors of publication: Ren, Dong-mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o773
• a: 8.233 ± 0.0016 Å
• b: 12.534 ± 0.003 Å
• c: 12.192 ± 0.002 Å
• α: 90°
• β: 97.96 ± 0.03°
• γ: 90°
• Cell volume: 1246 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1159
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes