Information card for entry 2232348

Structure parameters

• Chemical name: 1-Decyl-6-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Formula: C17 H25 N3 O3
• Calculated formula: C17 H25 N3 O3
• SMILES: [nH]1c2c(n(c1=O)CCCCCCCCCC)cc(N(=O)=O)cc2
• Title of publication: 1-Decyl-6-nitro-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Authors of publication: Ouzidan, Younes; Kandri Rodi, Youssef; Essassi, El Mokhtar; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2937
• a: 32.9827 ± 0.0006 Å
• b: 4.55881 ± 0.00009 Å
• c: 29.3435 ± 0.0005 Å
• α: 90°
• β: 109.481 ± 0.002°
• γ: 90°
• Cell volume: 4159.56 ± 0.14 ų
• Cell temperature: 206 ± 2 K
• Ambient diffraction temperature: 206 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0477
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes