Information card for entry 2233908

Structure parameters

• Chemical name: 2-Chloro-4-{(<i>E</i>)-[(4-chlorophenyl)imino]methyl}phenol
• Formula: C13 H9 Cl2 N O
• Calculated formula: C13 H9 Cl2 N O
• SMILES: Clc1c(O)ccc(c1)/C=N/c1ccc(Cl)cc1
• Title of publication: 2-Chloro-4-{(<i>E</i>)-[(4-chlorophenyl)imino]methyl}phenol
• Authors of publication: Şahin, Zarife Sibel; Işık, Şamil
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o678
• a: 9.7438 ± 0.0006 Å
• b: 9.9953 ± 0.0005 Å
• c: 12.1342 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1181.78 ± 0.11 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes