Information card for entry 1100661

Structure parameters

• Formula: C16 H17 N O2
• Calculated formula: C16 H17 N O2
• SMILES: N(=C(\c1c(O)cccc1)C)/c1ccc(OCC)cc1
• Title of publication: Crystal Structure of 4-Ethoxy-N-(o-hydroxyacetophenolidene)aniline
• Authors of publication: Aygün, Muhittin; Akkus, Nilgün; Güven, Kutalmş; Akgüngör, Kadir
• Journal of publication: Analytical Sciences: X-ray Structure Analysis Online
• Year of publication: 2003
• Journal volume: 19
• Pages of publication: x23 - x24
• a: 8.279 ± 0.001 Å
• b: 14.843 ± 0.002 Å
• c: 5.959 ± 0.001 Å
• α: 97.02 ± 0.01°
• β: 102.75 ± 0.01°
• γ: 100.52 ± 0.01°
• Cell volume: 692.05 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No