Information card for entry 2243817

Structure parameters

• Chemical name: 1-Decyl-2,3-dihydro-1<i>H</i>-benzimidazol-2-one
• Formula: C17 H26 N2 O
• Calculated formula: C17 H26 N2 O
• SMILES: O=C1Nc2c(N1CCCCCCCCCC)cccc2
• Title of publication: Crystal structure, Hirshfeld surface analysis and interaction energy calculation of 1-decyl-2,3-dihydro-1<i>H</i>-benzimidazol-2-one
• Authors of publication: Ait Elmachkouri, Younesse; Saber, Asmaa; Irrou, Ezaddine; Amer, Bushra; Mague, Joel T.; Hökelek, Tuncer; Labd Taha, Mohamed; Sebbar, Nada Kheira; Essassi, El Mokhtar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 5
• Pages of publication: 559 - 563
• a: 17.3256 ± 0.0005 Å
• b: 5.5662 ± 0.0002 Å
• c: 16.7244 ± 0.0005 Å
• α: 90°
• β: 97.433 ± 0.001°
• γ: 90°
• Cell volume: 1599.31 ± 0.09 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: 0.0432
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes