Information card for entry 2242420

Structure parameters

• Chemical name: (<i>E</i>)-5-Benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate
• Formula: C24 H22 N2 O2
• Calculated formula: C24 H22 N2 O2
• SMILES: O=c1c(=CNCCc2c[nH]c3ccccc23)ccc(OCc2ccccc2)c1
• Title of publication: Crystal structures and antioxidant capacity of (<i>E</i>)-5-benzyloxy-2-{[(4-chlorophenyl)imino]methyl}phenol and (<i>E</i>)-5-benzyloxy-2-({[2-(1<i>H</i>-indol-3-yl)ethyl]iminiumyl}methyl)phenolate
• Authors of publication: Ghichi, Nadir; Bensouici, Chawki; Benboudiaf, Ali; DJebli, Yacine; Merazig, Hocine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 4
• Pages of publication: 478 - 482
• a: 5.5265 ± 0.0006 Å
• b: 20.1714 ± 0.0019 Å
• c: 17.027 ± 0.002 Å
• α: 90°
• β: 97.216 ± 0.005°
• γ: 90°
• Cell volume: 1883.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1077
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No