Information card for entry 2234074

Structure parameters

• Chemical name: 5-Methyl-3,3-bis(morpholin-4-yl)-1-[2-(morpholin-4-yl)ethyl]- 2,3-dihydro-1<i>H</i>-indol-2-one
• Formula: C23 H34 N4 O4
• Calculated formula: C23 H34 N4 O4
• SMILES: N1(c2c(cc(cc2)C)C(N2CCOCC2)(N2CCOCC2)C1=O)CCN1CCOCC1
• Title of publication: 5-Methyl-3,3-bis(morpholin-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2,3-dihydro-1<i>H</i>-indol-2-one
• Authors of publication: Lin, Hui-Hui; Wu, Wei-Yao; Zhang, Jing-Jing; Cao, Sheng-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o821
• a: 10.1772 ± 0.001 Å
• b: 14.2576 ± 0.0014 Å
• c: 15.895 ± 0.0016 Å
• α: 90°
• β: 97.332 ± 0.002°
• γ: 90°
• Cell volume: 2287.5 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1309
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes