Information card for entry 2022777

Structure parameters

• Chemical name: 2-(4-Methoxynaphthalen-1-yl)-1-[(4-methoxynaphthalen-1-yl)methyl]-1<i>H</i>-benzo[<i>d</i>]imidazole ethanol monosolvate
• Formula: C32 H30 N2 O3
• Calculated formula: C32 H30 N2 O3
• 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: 10.7065 ± 0.0003 Å
• b: 10.9434 ± 0.0003 Å
• c: 12.8256 ± 0.0004 Å
• α: 69.029 ± 0.001°
• β: 82.871 ± 0.001°
• γ: 67.515 ± 0.001°
• Cell volume: 1296.37 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes