Information card for entry 2019718

Structure parameters

• Chemical name: 2-(Furan-2-yl)-1-[(furan-2-yl)methyl]-1<i>H</i>-benzimidazole
• Formula: C16 H12 N2 O2
• Calculated formula: C16 H12 N2 O2
• Title of publication: Structure determination of three furan-substituted benzimidazoles and calculation of π‒π and C—H···π interaction energies
• Authors of publication: Geiger, David K.; Geiger, H. Cristina; Deck, Jared M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 12
• a: 9.3916 ± 0.0017 Å
• b: 12.398 ± 0.002 Å
• c: 11.313 ± 0.002 Å
• α: 90°
• β: 105.216 ± 0.006°
• γ: 90°
• Cell volume: 1271.1 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0606
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes