Information card for entry 2218329

Structure parameters

• Chemical name: 2-(3,4,5-Trimethoxyphenyl)-1<i>H</i>-benzimidazole
• Formula: C16 H16 N2 O3
• Calculated formula: C16 H16 N2 O3
• SMILES: O(C)c1c(OC)cc(cc1OC)c1[nH]c2ccccc2n1
• Title of publication: 2-(3,4,5-Trimethoxyphenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Khalaji, Aliakbar Dehno; Jian, Fangfang; Xiao, Hailian; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1093
• a: 8.227 ± 0.0016 Å
• b: 9.575 ± 0.0019 Å
• c: 37.375 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2944.2 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2215
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes