Information card for entry 2202554

Structure parameters

• Chemical name: 2-[(2-Oxopyrrolidin-1-yl)carbonylmethyl]-2,3-dihydro-1H-isoindole-1,3-dione
• Formula: C14 H12 N2 O4
• Calculated formula: C14 H12 N2 O4
• SMILES: O=C1N(C(=O)c2ccccc12)CC(=O)N1C(=O)CCC1
• Title of publication: 2-[(2-Oxopyrrolidin-1-yl)carbonylmethyl]-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione: an antiamnesic agent
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Gupta, P.; Jindal, D. P.; Piplani, P.; Linden, Anthony
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1012 - o1013
• a: 10.748 ± 0.0002 Å
• b: 8.328 ± 0.0001 Å
• c: 27.9084 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2498.06 ± 0.07 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0869
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes