Information card for entry 2240679

Structure parameters

• Chemical name: (<i>E</i>)-2-({[2-(1,3-Dioxan-2-yl)phenyl]imino}methyl)phenol
• Formula: C17 H17 N O3
• Calculated formula: C17 H17 N O3
• SMILES: c1(ccccc1/C=N/c1ccccc1C1OCCCO1)O
• Title of publication: Crystal structure of (<i>E</i>)-2-({[2-(1,3-dioxan-2-yl)phenyl]imino}methyl)phenol
• Authors of publication: Li, Zhengyi; Shi, Song; Zhou, Kun; Chen, Liang; Sun, Xiaoqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o357 - o358
• a: 8.4873 ± 0.0018 Å
• b: 10.821 ± 0.002 Å
• c: 16.232 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1490.8 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0525
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes