Information card for entry 2241927

Structure parameters

• Chemical name: 1,3-Bis[(<i>E</i>)-4-methoxybenzylideneamino]propan-2-ol
• Formula: C19 H22 N2 O3
• Calculated formula: C19 H22 N2 O3
• SMILES: N(=C\c1ccc(OC)cc1)/CC(O)C/N=C/c1ccc(OC)cc1
• Title of publication: Crystal structure of 1,3-bis[(<i>E</i>)-4-methoxybenzylideneamino]propan-2-ol
• Authors of publication: Rivera, Augusto; Miranda-Carvajal, Ingrid; Ríos-Motta, Jaime; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1731 - 1733
• a: 7.9081 ± 0.0003 Å
• b: 5.8434 ± 0.0003 Å
• c: 37.4435 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1730.27 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes