Information card for entry 2238003

Structure parameters

• Chemical name: 2-{[3-Chloro-4-(4-chlorophenoxy)phenyl]iminomethyl}-4-nitrophenol
• Formula: C19 H12 Cl2 N2 O4
• Calculated formula: C19 H12 Cl2 N2 O4
• SMILES: Clc1ccc(cc1)Oc1c(Cl)cc(/N=C/c2cc(N(=O)=O)ccc2O)cc1
• Title of publication: 2-{[3-Chloro-4-(4-chlorophenoxy)phenyl]iminomethyl}-4-nitrophenol
• Authors of publication: Karadayı, Nevzat; Köysal, Yavuz; Şahin, Songül; Coşkun, Emine; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o889
• a: 5.5649 ± 0.0008 Å
• b: 7.929 ± 0.001 Å
• c: 21.778 ± 0.004 Å
• α: 86.26 ± 0.012°
• β: 83.596 ± 0.012°
• γ: 70.739 ± 0.01°
• Cell volume: 901.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1526
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes