Information card for entry 2233958

Structure parameters

• Chemical name: {2-[(3-Bromobenzylidene)-amino]-5-chlorophenyl}(phenyl)methanone
• Formula: C20 H13 Br Cl N O
• Calculated formula: C20 H13 Br Cl N O
• SMILES: Brc1cc(ccc1)/C=N/c1ccc(Cl)cc1C(=O)c1ccccc1
• Title of publication: {2-[(3-Bromobenzylidene)amino]-5-chlorophenyl}(phenyl)methanone
• Authors of publication: Aslam, M.; Anis, I.; Afza, N.; Safder, M.; Yousuf, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o645
• a: 16.2068 ± 0.0012 Å
• b: 7.8839 ± 0.0006 Å
• c: 27.262 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3483.3 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes