Information card for entry 2232716

Structure parameters

• Chemical name: 2-(3,4-Dimethoxyphenyl)-1<i>H</i>-benzimidazole
• Formula: C15 H14 N2 O2
• Calculated formula: C15 H14 N2 O2
• SMILES: O(c1cc(c2[nH]c3ccccc3n2)ccc1OC)C
• Title of publication: 2-(3,4-Dimethoxyphenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Khalaji, Aliakbar Dehno; Foroghnia, Alireza; Khalilzadeh, Mohammad Ali; Fejfarová, Karla; Dušek, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3255
• a: 9.2274 ± 0.0008 Å
• b: 15.0109 ± 0.0009 Å
• c: 9.2681 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1283.74 ± 0.14 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0273
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.46
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes