Information card for entry 2235455

Structure parameters

• Chemical name: 2-Ethoxy-6-{(<i>E</i>)-[(4-methylphenyl)imino]methyl}phenol
• Formula: C16 H17 N O2
• Calculated formula: C16 H17 N O2
• SMILES: Oc1c(cccc1OCC)/C=N/c1ccc(cc1)C
• Title of publication: 2-Ethoxy-6-{(<i>E</i>)-[(4-methylphenyl)imino]methyl}phenol
• Authors of publication: Shaheen, Muhammad Ashraf; Tahir, M. Nawaz; Irfan, Rana Muhammad; Iqbal, Shahid; Ahmad, Saeed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2011
• a: 29.5126 ± 0.0011 Å
• b: 6.8703 ± 0.0003 Å
• c: 28.2167 ± 0.0013 Å
• α: 90°
• β: 102.986 ± 0.003°
• γ: 90°
• Cell volume: 5574.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1749
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes