Information card for entry 2243016

Structure parameters

• Chemical name: 1-Nonyl-2,3-dihydro-1<i>H</i>-indole-2,3-dione
• Formula: C17 H23 N O2
• Calculated formula: C17 H23 N O2
• SMILES: O=C1c2c(N(C1=O)CCCCCCCCC)cccc2
• Title of publication: Crystal structure, DFT study and Hirshfeld surface analysis of 1-nonyl-2,3-dihydro-1<i>H</i>-indole-2,3-dione
• Authors of publication: Rayni, Ibtissam; El Bakri, Youness; Lai, Chin-Hung; Sebhaoui, Jihad; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 8
• Pages of publication: 1140 - 1144
• a: 16.2512 ± 0.0004 Å
• b: 7.6859 ± 0.0002 Å
• c: 13.0989 ± 0.0003 Å
• α: 90°
• β: 106.64 ± 0.001°
• γ: 90°
• Cell volume: 1567.6 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes