Information card for entry 2222641

Structure parameters

• Chemical name: 3-[(<i>E</i>)-(4-Ethylphenyl)iminomethyl]benzene-1,2-diol
• Formula: C15 H15 N O2
• Calculated formula: C15 H15 N O2
• SMILES: CCc1ccc(cc1)/N=C/c1cccc(c1O)O
• Title of publication: 3-[(<i>E</i>)-(4-Ethylphenyl)iminomethyl]benzene-1,2-diol
• Authors of publication: Keleşoğlu, Zeynep; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2055
• a: 6.1893 ± 0.0004 Å
• b: 8.7704 ± 0.0006 Å
• c: 12.7605 ± 0.0009 Å
• α: 87.326 ± 0.006°
• β: 86.397 ± 0.006°
• γ: 69.394 ± 0.005°
• Cell volume: 646.85 ± 0.08 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes