Information card for entry 2022776

Structure parameters

• Chemical name: 2-(4-Methoxynaphthalen-1-yl)-1<i>H</i>-benzo[<i>d</i>]imidazole
• Formula: C18 H14 N2 O
• Calculated formula: C18 H14 N2 O
• Title of publication: Synthesis and crystal structures of two 1H-benzo[d]imidazole derivatives: DFT and anticorrosion studies, and Hirshfeld surface analysis
• Authors of publication: Ghichi, Nadir; Djedouani, Amel; Hannachid, Douniazed; Elhadi, Said Mohamed; Benboudiaf, Ali; Merazig, Hocine; Ouksel, Louiza; Hellal, Abdelkader; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2023
• Journal volume: 79
• Journal issue: 7
• Pages of publication: 292 - 304
• a: 9.1548 ± 0.0005 Å
• b: 9.7791 ± 0.0005 Å
• c: 15.6336 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1399.61 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes