Information card for entry 2311518

Structure parameters

• Chemical name: (<i>E</i>)-1-{3-[(5-Fluoro-2-hydroxybenzylidene)amino]phenyl}ethanone
• Formula: C15 H12 F N O2
• Calculated formula: C15 H12 F N O2
• SMILES: N(=C\c1c(O)ccc(F)c1)/c1cc(ccc1)C(=O)C
• Title of publication: Crystal structures of (<i>E</i>)-1-{3-[(5-fluoro-2-hy-droxy-benzyl-idene)amino]-phen-yl}ethanone and of a fourth polymorph of (<i>E</i>)-1-{3-[(2-hy-droxy-3-meth-oxy-benzyl-idene)amino]-phen-yl}ethanone.
• Authors of publication: Girisha, Marisiddaiah; Yathirajan, Hemmige S.; Rathore, Ravindranath S.; Glidewell, Christopher
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1835 - 1839
• a: 14.9527 ± 0.0005 Å
• b: 5.5152 ± 0.0002 Å
• c: 16.6918 ± 0.0005 Å
• α: 90°
• β: 114.739 ± 0.002°
• γ: 90°
• Cell volume: 1250.19 ± 0.07 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No