Information card for entry 2242255

Structure parameters

• Chemical name: 6-Chloro-1-phenylindoline-2,3-dione
• Formula: C14 H8 Cl N O2
• Calculated formula: C14 H8 Cl N O2
• SMILES: Clc1cc2N(c3ccccc3)C(=O)C(=O)c2cc1
• Title of publication: 6-Chloro-1-phenylindoline-2,3-dione: absolute structure, non-linear optical and charge-transport properties
• Authors of publication: Wang, Bing; Lu, Qing; Fang, Qi; Zhang, Ting-ting; Jin, Ying-ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 908 - 912
• a: 6.819 ± 0.0003 Å
• b: 7.7062 ± 0.0003 Å
• c: 21.7492 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1142.89 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes