Information card for entry 8107673

Structure parameters

• Formula: C17 H14 Cl2 N2 O2
• Calculated formula: C17 H14 Cl2 N2 O2
• Title of publication: Crystal structure of ethyl 2-((2,6-dichloro-4-(cyanomethyl)phenyl) amino)benzoate, C17H14Cl2N2O2
• Authors of publication: Zhao, Meimei; Du, Mo; Liu, Bin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 6
• Pages of publication: 1105 - 1106
• a: 8.4863 ± 0.0017 Å
• b: 12.654 ± 0.002 Å
• c: 15.088 ± 0.003 Å
• α: 90°
• β: 103.612 ± 0.005°
• γ: 90°
• Cell volume: 1574.7 ± 0.5 ų
• Cell temperature: 205 K
• Ambient diffraction temperature: 205 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0582
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No