Information card for entry 2234387

Structure parameters

• Chemical name: 3-Anilino-1-(isopropylamino)propan-2-ol
• Formula: C12 H20 N2 O
• Calculated formula: C12 H20 N2 O
• SMILES: N(C[C@@H](O)CNc1ccccc1)C(C)C
• Title of publication: 3-Anilino-1-(isopropylamino)propan-2-ol
• Authors of publication: Hou, Xuehui; Hu, Ping; Lv, Quanjian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1264
• a: 8.7676 ± 0.0008 Å
• b: 6.4662 ± 0.0006 Å
• c: 11.1677 ± 0.0012 Å
• α: 90°
• β: 105.29 ± 0.001°
• γ: 90°
• Cell volume: 610.72 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1048
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes