Information card for entry 8106084

Structure parameters

• Chemical name: (<i>E</i>)-4-(3-ethoxy-2-hydroxybenzylideneamino)benzoic acid
• Formula: C16 H15 N O4
• Calculated formula: C16 H15 N O4
• SMILES: c1(c(c(ccc1)OCC)O)/C=N/c1ccc(cc1)C(=O)O
• Title of publication: The crystal structure of (E)-4-(3-ethoxy-2-hydroxybenzylideneamino)benzoic acid, C16H15NO4
• Authors of publication: Kirca, Başak Koşar
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 157 - 158
• a: 4.996 ± 0.0004 Å
• b: 6.9139 ± 0.0005 Å
• c: 20.765 ± 0.0015 Å
• α: 83.718 ± 0.006°
• β: 84.805 ± 0.006°
• γ: 78.648 ± 0.006°
• Cell volume: 697.25 ± 0.09 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: 0.1039
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No