Information card for entry 2230931

Structure parameters

• Chemical name: 1-[(3-Chlorophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol
• Formula: C21 H20 Cl N O2
• Calculated formula: C21 H20 Cl N O2
• SMILES: Clc1cc(C(N2CCOCC2)c2c3ccccc3ccc2O)ccc1
• Title of publication: 1-[(3-Chlorophenyl)(morpholin-4-yl)methyl]naphthalen-2-ol
• Authors of publication: Shu, Li-Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1681
• a: 14.1896 ± 0.0018 Å
• b: 15.881 ± 0.002 Å
• c: 10.3998 ± 0.001 Å
• α: 90°
• β: 132.13 ± 0.02°
• γ: 90°
• Cell volume: 1738 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1243
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes