Information card for entry 2229022

Structure parameters

• Chemical name: 1-Nonyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Formula: C16 H24 N2 O
• Calculated formula: C16 H24 N2 O
• SMILES: O=C1N(c2c(N1)cccc2)CCCCCCCCC
• Title of publication: 1-Nonyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Authors of publication: Ouzidan, Younes; Kandri Rodi, Youssef; Butcher, Raymond J.; Essassi, El Mokhtar; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o283
• a: 18.023 ± 0.001 Å
• b: 5.4585 ± 0.0002 Å
• c: 16.5708 ± 0.0009 Å
• α: 90°
• β: 115.543 ± 0.007°
• γ: 90°
• Cell volume: 1470.88 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0638
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes