Information card for entry 2234047

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(cc1)C(N1CCOCC1)c1c2c(ccc1O)cccc2
• 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: 3
• Pages of publication: o812
• a: 10.514 ± 0.002 Å
• b: 10.7 ± 0.002 Å
• c: 34.002 ± 0.007 Å
• α: 82.32 ± 0.03°
• β: 89.43 ± 0.03°
• γ: 88.67 ± 0.03°
• Cell volume: 3789.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2068
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes