Information card for entry 8106369

Structure parameters

• Formula: C16 H14 Cl2 N2 O2
• Calculated formula: C16 H14 Cl2 N2 O2
• SMILES: Clc1c(O)c(/C=N/c2ccc(/C(=N/OC)C)cc2)cc(Cl)c1
• Title of publication: Crystal structure of (E)-1-(4-(((E)-3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H14Cl2N2O2
• Authors of publication: Fu, Tao; Ma, Jin-Xia; Li, Qing-Lin; Wei, Ping; Zhao, Ji-Xing; Zhao, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 6
• Pages of publication: 979 - 980
• a: 7.9157 ± 0.0006 Å
• b: 13.4533 ± 0.0008 Å
• c: 14.8459 ± 0.001 Å
• α: 90°
• β: 103.651 ± 0.002°
• γ: 90°
• Cell volume: 1536.31 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0482
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No