Information card for entry 2019768

Structure parameters

• Chemical name: 5-Iodo-1-phenylindolin-2-one
• Formula: C14 H10 I N O
• Calculated formula: C14 H10 I N O
• SMILES: Ic1ccc2N(c3ccccc3)C(=O)Cc2c1
• Title of publication: Three 1-phenylindolin-2-one derivatives displaying different molecular dipole moments and different crystallographic symmetries
• Authors of publication: Wang, Lei; Zhang, Man; Jin, Ying-Ying; Lu, Qing; Fang, Qi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• a: 8.1164 ± 0.0003 Å
• b: 13.3844 ± 0.0005 Å
• c: 22.7824 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2474.92 ± 0.16 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes