Information card for entry 2220987

Structure parameters

• Chemical name: 4-Chloro-2-[(<i>E</i>)-(2-chlorophenyl)iminomethyl]phenol
• Formula: C13 H9 Cl2 N O
• Calculated formula: C13 H9 Cl2 N O
• SMILES: Clc1ccc(O)c(/C=N/c2c(Cl)cccc2)c1
• Title of publication: 4-Chloro-2-[(<i>E</i>)-(2-chlorophenyl)iminomethyl]phenol
• Authors of publication: Zhang, Xinli
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o512
• a: 7.2693 ± 0.0013 Å
• b: 13.0037 ± 0.0019 Å
• c: 25.2711 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2388.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0625
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes