Information card for entry 8107588

Structure parameters

• Formula: C17 H15 Br Cl2 N2 O2
• Calculated formula: C17 H15 Br Cl2 N2 O2
• Title of publication: Crystal structure of (2-((4-bromo-2,6-dichlorophenyl)amino)phenyl) (morpholino)methanone, C17H15BrCl2N2O2
• Authors of publication: Zhang, Cuiya; Han, Xiaojuan; Tang, Wenqiang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 877 - 878
• a: 20.333 ± 0.007 Å
• b: 11.226 ± 0.005 Å
• c: 7.843 ± 0.003 Å
• α: 90°
• β: 99.651 ± 0.008°
• γ: 90°
• Cell volume: 1764.9 ± 1.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0619
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No