Information card for entry 2200156

Structure parameters

• Chemical name: 1-(5-chloropyridin-2-yl)-isoindole-1,3-dione
• Formula: C13 H7 Cl N2 O2
• Calculated formula: C13 H7 Cl N2 O2
• SMILES: Clc1ccc(nc1)N1C(=O)c2ccccc2C1=O
• Title of publication: 2-(5-Chloropyridin-2-yl)-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione
• Authors of publication: Holband, Jolanta; Jurkin, Magdalena; Wójcik, Grażyna; Holband, Tomasz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: o250 - o251
• a: 7.494 ± 0.001 Å
• b: 7.974 ± 0.002 Å
• c: 10.303 ± 0.002 Å
• α: 100.58 ± 0.03°
• β: 98.38 ± 0.03°
• γ: 107.98 ± 0.03°
• Cell volume: 562 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes