Information card for entry 2217694

Structure parameters

• Chemical name: (E)-2-[(2-Chlorophenyl)iminomethyl]-4-methylphenol
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: c1(c(cccc1)/N=C/c1cc(ccc1O)C)Cl
• Title of publication: (<i>E</i>)-2-[(2-Chlorophenyl)iminomethyl]-4-methylphenol
• Authors of publication: Deveci, Özlem; Işık, Şamil; Erşahin, Ferda; Ağar, Erbil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o539 - o539
• a: 7.5121 ± 0.0007 Å
• b: 11.919 ± 0.0015 Å
• c: 27.5 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2462.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1706
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.814
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes