Information card for entry 2019767

Structure parameters

• Chemical name: 5-Bromo-1-phenylindolin-2-one
• Formula: C14 H10 Br N O
• Calculated formula: C14 H10 Br N O
• SMILES: Brc1ccc2N(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: 3.9581 ± 0.0001 Å
• b: 21.574 ± 0.0007 Å
• c: 13.2045 ± 0.0004 Å
• α: 90°
• β: 95.287 ± 0.002°
• γ: 90°
• Cell volume: 1122.76 ± 0.06 ų
• Cell temperature: 135 ± 2 K
• Ambient diffraction temperature: 135 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes