Information card for entry 2229426

Structure parameters

• Chemical name: 4-Bromo-2-[(<i>E</i>)-(4-chlorophenyl)iminomethyl]phenol
• Formula: C13 H9 Br Cl N O
• Calculated formula: C13 H9 Br Cl N O
• SMILES: Brc1ccc(O)c(c1)/C=N/c1ccc(Cl)cc1
• Title of publication: 4-Bromo-2-[(<i>E</i>)-(4-chlorophenyl)iminomethyl]phenol
• Authors of publication: Ardakani, Amir Adabi; Kia, Reza; Kargar, Hadi; Tahir, Muhammad Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o597
• a: 27.652 ± 0.011 Å
• b: 7.011 ± 0.003 Å
• c: 6.219 ± 0.003 Å
• α: 90°
• β: 96.38 ± 0.02°
• γ: 90°
• Cell volume: 1198.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0454
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0723
• Weighted residual factors for all reflections included in the refinement: 0.0783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes