Information card for entry 2228179

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(2-Chlorophenyl)iminomethyl]-6-methylphenol
• Formula: C14 H12 Cl N O
• Calculated formula: C14 H12 Cl N O
• SMILES: Clc1ccccc1/N=C/c1c(c(ccc1)C)O
• Title of publication: 2-[(<i>E</i>)-(2-Chlorophenyl)iminomethyl]-6-methylphenol
• Authors of publication: Zhu, Peihua; Yu, Jiemei; Wang, Hongyan; Zhang, Chunlai; Yang, Dongming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2460
• a: 7.8318 ± 0.0014 Å
• b: 11.693 ± 0.002 Å
• c: 13.25 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1213.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes