Information card for entry 2233923

Structure parameters

• Chemical name: {5-Chloro-2-[(4-chlorobenzylidene)amino]phenyl}(phenyl)methanone
• Formula: C20 H13 Cl2 N O
• Calculated formula: C20 H13 Cl2 N O
• SMILES: Clc1ccc(/C=N/c2c(C(=O)c3ccccc3)cc(Cl)cc2)cc1
• Title of publication: {5-Chloro-2-[(4-chlorobenzylidene)amino]phenyl}(phenyl)methanone
• Authors of publication: Aslam, Muhammad; Anis, Itrat; Afza, Nighat; Yasmeen, Shazia; Yousuf, Sammer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o644
• a: 7.2283 ± 0.0004 Å
• b: 10.2301 ± 0.0005 Å
• c: 11.9079 ± 0.0006 Å
• α: 100.929 ± 0.001°
• β: 97.318 ± 0.001°
• γ: 91.36 ± 0.001°
• Cell volume: 856.49 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes