Information card for entry 2233452

Structure parameters

• Chemical name: 1-[(4-Bromophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol
• Formula: C21 H20 Br N O2
• Calculated formula: C21 H20 Br N O2
• SMILES: Brc1ccc(C(N2CCOCC2)c2c3c(cccc3)ccc2O)cc1
• Title of publication: 1-[(4-Bromophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol
• Authors of publication: Zhao, Qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o529
• a: 11.024 ± 0.002 Å
• b: 12.119 ± 0.002 Å
• c: 13.875 ± 0.003 Å
• α: 90°
• β: 104.55 ± 0.03°
• γ: 90°
• Cell volume: 1794.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes