Information card for entry 1545684

Structure parameters

• Common name: ((E)-4-((3,5-Dibromo-2-Hydroxybenzylidene)amino)benzamide
• Chemical name: ((E)-4-((3,5-Dibromo-2-Hydroxybenzylidene)amino)benzamide
• Formula: C14 H10 Br2 N2 O2
• Calculated formula: C14 H10 Br2 N2 O2
• SMILES: Brc1cc(Br)c(O)c(/C=N/c2ccc(cc2)C(=O)N)c1
• Title of publication: Mechanochemical synthesis of <i>N</i>-salicylideneaniline: thermosalient effect of polymorphic crystals
• Authors of publication: Mittapalli, Sudhir; Sravanakumar Perumalla, D.; Nangia, Ashwini
• Journal of publication: IUCrJ
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 3
• a: 8.3928 ± 0.0007 Å
• b: 9.2815 ± 0.0008 Å
• c: 9.3877 ± 0.0008 Å
• α: 81.62 ± 0.007°
• β: 75.049 ± 0.007°
• γ: 81.589 ± 0.007°
• Cell volume: 694.45 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No