Information card for entry 2231223

Structure parameters

• Common name: 1-phenylisatin
• Chemical name: 1-phenylindole-2,3-dione
• Formula: C14 H9 N O2
• Calculated formula: C14 H9 N O2
• SMILES: N1(C(=O)C(=O)c2ccccc12)c1ccccc1
• Title of publication: 1-Phenylisatin
• Authors of publication: Shukla, Deepak; Rajeswaran, Manju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2034
• a: 3.9677 ± 0.0001 Å
• b: 13.3259 ± 0.0004 Å
• c: 20.3397 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1075.42 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0622
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes