Information card for entry 2311519

Structure parameters

• Chemical name: (<i>E</i>)-1-{3-[(2-Hydroxy-3-methoxybenzylidene)amino]phenyl}ethanone
• Formula: C16 H15 N O3
• Calculated formula: C16 H15 N O3
• SMILES: N(=C\c1c(c(ccc1)OC)O)/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: 19.1904 ± 0.0004 Å
• b: 5.33856 ± 0.00012 Å
• c: 26.5678 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2721.85 ± 0.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No