Information card for entry 2236708

Structure parameters

• Chemical name: 2-(4-Isobutylphenyl)-1-(morpholin-4-yl)propan-1-one
• Formula: C17 H25 N O2
• Calculated formula: C17 H25 N O2
• SMILES: O=C(N1CCOCC1)C(c1ccc(CC(C)C)cc1)C
• Title of publication: 2-(4-Isobutylphenyl)-1-(morpholin-4-yl)propan-1-one
• Authors of publication: Nasirullah; Islam, Nazar Ul; Tahir, M. Nawaz; Khan, Ikhtiar; Zulfiqar, Muhammad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2637
• a: 14.1389 ± 0.0019 Å
• b: 10.3358 ± 0.0015 Å
• c: 11.3552 ± 0.0015 Å
• α: 90°
• β: 103.426 ± 0.008°
• γ: 90°
• Cell volume: 1614.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1699
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes