Information card for entry 2222373

Structure parameters

• Chemical name: 1-(2-Chlorophenyl)-2-(isopropylamino)ethanol
• Formula: C11 H16 Cl N O
• Calculated formula: C11 H16 Cl N O
• SMILES: Clc1c(C(O)CNC(C)C)cccc1
• Title of publication: 1-(2-Chlorophenyl)-2-(isopropylamino)ethanol
• Authors of publication: Tang, Zhan; Xu, Min; Zheng, Gui-Ru; Feng, Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: o1501
• a: 14.0195 ± 0.0005 Å
• b: 14.0195 ± 0.0005 Å
• c: 12.1243 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2382.99 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes