Information card for entry 2213099

Structure parameters

• Chemical name: 1,3-Bis(2-aminophenoxy)-2-propanol
• Formula: C15 H18 N2 O3
• Calculated formula: C15 H18 N2 O3
• SMILES: c1(ccccc1OCC(COc1ccccc1N)O)N
• Title of publication: 1,3-Bis(2-aminophenoxy)propan-2-ol
• Authors of publication: Zhi-You Xiao; Yun-Qian Zhang; Qi-Long Zhang; Bi-Xue Zhu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2469 - o2469
• a: 14.069 ± 0.002 Å
• b: 5.8636 ± 0.0009 Å
• c: 17.112 ± 0.003 Å
• α: 90°
• β: 103.418 ± 0.007°
• γ: 90°
• Cell volume: 1373.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes