Information card for entry 2221564

Structure parameters

• Chemical name: (<i>E</i>)-2-[(2,4-Dichlorophenyl)iminomethyl]-6-methylphenol
• Formula: C14 H11 Cl2 N O
• Calculated formula: C14 H11 Cl2 N O
• SMILES: Clc1ccc(c(c1)Cl)/N=C/c1cccc(c1O)C
• Title of publication: (<i>E</i>)-2-[(2,4-Dichlorophenyl)iminomethyl]-6-methylphenol
• Authors of publication: Şahin, Zarife Sibel; Işık, Şamil; Erşahin, Ferda; Ağar, Erbil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o811
• a: 19.981 ± 0.002 Å
• b: 7.1473 ± 0.0006 Å
• c: 20.057 ± 0.004 Å
• α: 90°
• β: 114.913 ± 0.011°
• γ: 90°
• Cell volume: 2597.8 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes