Information card for entry 2225750

Structure parameters

• Chemical name: (<i>E</i>)-2-[1-(3-Amino-4-chlorophenylimino)ethyl]-4-bromophenol
• Formula: C14 H12 Br Cl N2 O
• Calculated formula: C14 H12 Br Cl N2 O
• SMILES: Brc1ccc(O)c(c1)/C(=N/c1cc(N)c(Cl)cc1)C
• Title of publication: (<i>E</i>)-2-[1-(3-Amino-4-chlorophenylimino)ethyl]-4-bromophenol
• Authors of publication: Bahron, Hadariah; Bakar, Siti Najihah Abu; Kassim, Karimah; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o883
• a: 10.2469 ± 0.0001 Å
• b: 8.7672 ± 0.0001 Å
• c: 15.718 ± 0.0002 Å
• α: 90°
• β: 107.065 ± 0.001°
• γ: 90°
• Cell volume: 1349.88 ± 0.03 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: 0.0802
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes