Information card for entry 2235638

Structure parameters

• Chemical name: 4,6-Dichloro-2-((<i>E</i>)-{4-[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylideneamino]butylimino}methyl)phenol
• Formula: C18 H16 Cl4 N2 O2
• Calculated formula: C18 H16 Cl4 N2 O2
• SMILES: Clc1cc(/C=N/CCCC/N=C/c2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O
• Title of publication: 4,6-Dichloro-2-((<i>E</i>)-{4-[(<i>E</i>)-3,5-dichloro-2-hydroxybenzylideneamino]butylimino}methyl)phenol
• Authors of publication: Kargar, Hadi; Kia, Reza; Adabi Ardakani, Amir; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2244 - o2245
• a: 15.871 ± 0.003 Å
• b: 12.505 ± 0.003 Å
• c: 9.4133 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1868.2 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes