Information card for entry 2230864

Structure parameters

• Common name: N-[(2-ethoxy)-2-oxo-ethyl]-4-piperidino-1,8-naphthalimide
• Chemical name: Ethyl 2-[1,3-dioxo-6-(piperidin-1-yl)-2,3-dihydro- 1<i>H</i>-benz[<i>de</i>]isoquinolin-2-yl]acetate
• Formula: C21 H22 N2 O4
• Calculated formula: C21 H22 N2 O4
• SMILES: N1(CCCCC1)c1ccc2c3c(cccc13)C(=O)N(C2=O)CC(=O)OCC
• Title of publication: Ethyl 2-[1,3-dioxo-6-(piperidin-1-yl)-2,3-dihydro-1<i>H</i>-benz[<i>de</i>]isoquinolin-2-yl]acetate
• Authors of publication: Xia, Song; Zheng, Chun-Ling; He, Fei-Fei; Shi, Ya-Bin; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1717
• a: 10.959 ± 0.002 Å
• b: 18.037 ± 0.004 Å
• c: 9.333 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1844.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes