Information card for entry 8102546

Structure parameters

• Chemical name: (<i>E</i>)-2-fluoro-6-((4-hydroxyphenethylimino)methyl)phenol
• Formula: C15 H14 F N O2
• Calculated formula: C15 H14 F N O2
• SMILES: c1(c(c(ccc1)F)[O-])/C=[NH+]/CCc1ccc(cc1)O
• Title of publication: Crystal structure of (E)-2-fluoro-6-((4-hydroxyphenethylimino)methyl)phenol, C15H14FNO2
• Authors of publication: Ai-Yun Wang; Lei Shi; Hai-Liang Zhu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 531
• a: 7.5568 ± 0.0014 Å
• b: 9.465 ± 0.002 Å
• c: 10.1088 ± 0.0019 Å
• α: 68.52 ± 0.03°
• β: 74.05 ± 0.03°
• γ: 83.07 ± 0.03°
• Cell volume: 646.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No