Information card for entry 2226507

Structure parameters

• Chemical name: 4-[(<i>E</i>)-({4-[bis(2-hydroxyethyl)amino]phenyl}imino)methyl]phenol
• Formula: C17 H20 N2 O3
• Calculated formula: C17 H20 N2 O3
• SMILES: Oc1ccc(cc1)/C=N/c1ccc(N(CCO)CCO)cc1
• Title of publication: 4-[(<i>E</i>)-({4-[Bis(2-hydroxyethyl)amino]phenyl}imino)methyl]phenol
• Authors of publication: Liu, Xiaoju; Yang, Bingqin; Borzov, Maxim V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1646
• a: 10.1426 ± 0.0009 Å
• b: 9.5192 ± 0.0009 Å
• c: 15.86 ± 0.0014 Å
• α: 90°
• β: 92.679 ± 0.001°
• γ: 90°
• Cell volume: 1529.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 0.844
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes