Information card for entry 8106835

Structure parameters

• Formula: C13 H8 Br2 N2 O3
• Calculated formula: C13 H8 Br2 N2 O3
• SMILES: Brc1cc(Br)cc(/C=N/c2c(N(=O)=O)cccc2)c1O
• Title of publication: Crystal structure of (E)-2,4-dibromo-6-(((2-nitrophenyl)imino)methyl)phenol, C13H8Br2N2O3
• Authors of publication: Hong, Yong; Huang, Dushu; Liu, Wei; Zhang, Yinghong
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 231 - 232
• a: 12.794 ± 0.003 Å
• b: 7.2041 ± 0.0015 Å
• c: 14.862 ± 0.003 Å
• α: 90°
• β: 93.355 ± 0.005°
• γ: 90°
• Cell volume: 1367.5 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0414
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No