Information card for entry 2211926

Structure parameters

• Chemical name: 2-(2-pyridyl)isoindoline-1,3-dione
• Formula: C13 H8 N2 O2
• Calculated formula: C13 H8 N2 O2
• SMILES: O=C1N(C(=O)c2c1cccc2)c1ncccc1
• Title of publication: 2-(2-Pyridyl)isoindoline-1,3-dione
• Authors of publication: Liang, Zu-Pei; Li, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o405 - o406
• a: 11.41 ± 0.005 Å
• b: 7.846 ± 0.003 Å
• c: 23.167 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2074 ± 1.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes