Information card for entry 2219046

Structure parameters

• Chemical name: (<i>E</i>)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol
• Formula: C14 H12 Cl N O2
• Calculated formula: C14 H12 Cl N O2
• SMILES: Clc1c(/N=C/c2c(O)ccc(OC)c2)cccc1
• Title of publication: X-ray crystal and computational structural study of (<i>E</i>)-2-[(2-chlorophenyl)iminomethyl]-4-methoxyphenol
• Authors of publication: Özek, Arzu; Büyükgüngör, Orhan; Albayrak, Çiğdem; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1579 - o1580
• a: 13.2348 ± 0.0009 Å
• b: 8.4701 ± 0.0004 Å
• c: 12.0115 ± 0.0008 Å
• α: 90°
• β: 112.846 ± 0.005°
• γ: 90°
• Cell volume: 1240.86 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• 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: 0.0399
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes