Information card for entry 8104648

Structure parameters

• Formula: C17 H9 Cl N2 O2
• Calculated formula: C17 H9 Cl N2 O2
• Title of publication: The crystal structure of 4-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2
• Authors of publication: Yang, Fan; Yao, Lin; Zeng, Xu-Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 999 - 1000
• a: 13.6888 ± 0.0004 Å
• b: 8.3775 ± 0.0002 Å
• c: 12.918 ± 0.0003 Å
• α: 90°
• β: 110.515 ± 0.003°
• γ: 90°
• Cell volume: 1387.46 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0458
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No