Information card for entry 8103366

Structure parameters

• Formula: C15 H12 Cl2 N2 O
• Calculated formula: C15 H12 Cl2 N2 O
• SMILES: Clc1c(/C=N/c2ccc(C(=N\O)\C)cc2)ccc(Cl)c1
• Title of publication: Crystal structure of 1-{4-[(E)-2,4-dichlorobenzylideneamino]phenyl}ethanone oxime, C15H12Cl2N2O
• Authors of publication: Li Zhao; Xu-Tao Dong; Jia Zhang; Qian Cheng; Ji-Xing Zhao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 185
• a: 39.827 ± 0.003 Å
• b: 3.9297 ± 0.0004 Å
• c: 17.8945 ± 0.0018 Å
• α: 90°
• β: 90.108 ± 0.001°
• γ: 90°
• Cell volume: 2800.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No