Information card for entry 2013516

Structure parameters

• Chemical name: 1-[2-(4-Nitrophenoxy)acetyl]pyrrolidin-2-one
• Formula: C12 H12 N2 O5
• Calculated formula: C12 H12 N2 O5
• SMILES: O(c1ccc(N(=O)=O)cc1)CC(=O)N1C(=O)CCC1
• Title of publication: 1-[2-(4-Nitrophenoxy)acetyl]pyrrolidin-2-one: an antiamnesic agent
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Malik, R.; Jindal, D.P.; Piplani, P.; Linden, Anthony
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o514 - o515
• a: 5.2813 ± 0.0001 Å
• b: 8.7367 ± 0.0002 Å
• c: 12.9843 ± 0.0003 Å
• α: 80.4656 ± 0.0014°
• β: 81.4302 ± 0.0012°
• γ: 83.883 ± 0.001°
• Cell volume: 582.17 ± 0.02 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes