Information card for entry 2230952

Structure parameters

• Chemical name: 1-(4-Amino-3,5-dichlorophenyl)ethanol
• Formula: C8 H9 Cl2 N O
• Calculated formula: C8 H9 Cl2 N O
• SMILES: CC(c1cc(Cl)c(c(c1)Cl)N)O
• Title of publication: 1-(4-Amino-3,5-dichlorophenyl)ethanol
• Authors of publication: Liu, Peng; Wu, Jian-Feng; Wang, Ping-An; He, Wei; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1839
• a: 16.472 ± 0.002 Å
• b: 16.11 ± 0.002 Å
• c: 14.6756 ± 0.0019 Å
• α: 90°
• β: 107.049 ± 0.002°
• γ: 90°
• Cell volume: 3723.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes