Information card for entry 2236631

Structure parameters

• Chemical name: 2-(6-Methoxynaphthalen-2-yl)-1-(morpholin-4-yl)propan-1-one
• Formula: C18 H21 N O3
• Calculated formula: C18 H21 N O3
• SMILES: O(c1ccc2cc(ccc2c1)[C@H](C)C(=O)N1CCOCC1)C
• Title of publication: 2-(6-Methoxynaphthalen-2-yl)-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: o2636
• a: 9.5947 ± 0.0015 Å
• b: 6.6293 ± 0.0008 Å
• c: 12.34 ± 0.002 Å
• α: 90°
• β: 92.221 ± 0.005°
• γ: 90°
• Cell volume: 784.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0964
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes