Information card for entry 8104553

Structure parameters

• Formula: C17 H9 Cl N2 O2
• Calculated formula: C17 H9 Cl N2 O2
• SMILES: Clc1cc2c(C(=O)N(C2=O)c2c3ncccc3ccc2)cc1
• Title of publication: The crystal structure of 5-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2
• Authors of publication: Zhang, Wei; Zhang, Yu; Feng, Song-Hao; Wang, Jing-Jing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 6
• Pages of publication: 1155 - 1156
• a: 7.8944 ± 0.0004 Å
• b: 8.0678 ± 0.0005 Å
• c: 12.6285 ± 0.0009 Å
• α: 74.627 ± 0.006°
• β: 78.654 ± 0.005°
• γ: 63.569 ± 0.005°
• Cell volume: 691.58 ± 0.08 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: 0.0447
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1292
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No