Information card for entry 8105196

Structure parameters

• Formula: C17 H8 Cl2 N2 O2
• Calculated formula: C17 H8 Cl2 N2 O2
• SMILES: Clc1cc2C(=O)N(c3c4ncccc4ccc3)C(=O)c2cc1Cl
• Title of publication: The crystal structure of 5,6-dichloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H8Cl2N2O2
• Authors of publication: Chen, Jie; Zhu, Hengmei; Cai, Zhigang; Hu, Jing; Shen, Lili; Zhang, Yali; Xu, Xiaoping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 2
• Pages of publication: 255 - 256
• a: 7.9032 ± 0.0002 Å
• b: 9.0843 ± 0.0003 Å
• c: 10.8051 ± 0.0002 Å
• α: 85.231 ± 0.001°
• β: 85.027 ± 0.001°
• γ: 71.013 ± 0.002°
• Cell volume: 729.54 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No