Information card for entry 2235141

Structure parameters

• Chemical name: 2,4-Dichloro-6-({2-[(3,5-dichloro-2- hydroxybenzylidene)amino]ethyl}iminomethyl)phenol
• Formula: C16 H12 Cl4 N2 O2
• Calculated formula: C16 H12 Cl4 N2 O2
• SMILES: Clc1cc(/C=N/CC/N=C/c2cc(Cl)cc(c2O)Cl)c(c(c1)Cl)O
• Title of publication: 2,4-Dichloro-6-({2-[(3,5-dichloro-2-hydroxybenzylidene)amino]ethyl}iminomethyl)phenol
• Authors of publication: Ourari, Ali; Baameur, Lotfi; Bouacida, Sofiane; Gilles, Bouet; Magali, Allain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1700
• a: 7.529 ± 0.001 Å
• b: 10.718 ± 0.002 Å
• c: 10.759 ± 0.002 Å
• α: 90°
• β: 101.4 ± 0.02°
• γ: 90°
• Cell volume: 851.1 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes