Information card for entry 8106538

Structure parameters

• Formula: C14 H10 Br2 N2 O3
• Calculated formula: C14 H10 Br2 N2 O3
• SMILES: Brc1cc(Br)cc(c1O)/C=N/c1c(cc(cc1)C)N(=O)=O
• Title of publication: Crystal structure of (E)-2,4-dibromo-6-(((4-methyl-2-nitrophenyl)imino) methyl)phenol, C10H14Br2N2O3
• Authors of publication: Hong, Yong; Gou, Gaozhang; Liu, Wei; Yan, Heping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 365 - 366
• a: 13.458 ± 0.002 Å
• b: 7.2464 ± 0.0013 Å
• c: 15.027 ± 0.003 Å
• α: 90°
• β: 96.846 ± 0.003°
• γ: 90°
• Cell volume: 1455 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No