Information card for entry 8106958

Structure parameters

• Formula: C13 H9 Cl2 N
• Calculated formula: C13 H9 Cl2 N
• SMILES: Clc1ccccc1/C=N/c1ccc(Cl)cc1
• Title of publication: Crystal structure of (E)-1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine, C13H9Cl2N
• Authors of publication: Liang, En-Xiang; He, Bin-Hong; Xu, Yi-Xue; Yi, Jian-Min; Ren, Shao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 627 - 628
• a: 3.9518 ± 0.0018 Å
• b: 10.495 ± 0.005 Å
• c: 27.875 ± 0.015 Å
• α: 90°
• β: 91.224 ± 0.008°
• γ: 90°
• Cell volume: 1155.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.098
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No