Information card for entry 2235046

Structure parameters

• Chemical name: 2-(2-Hydroxy-3-methoxyphenyl)-1<i>H</i>-benzimidazol-3-ium perchlorate
• Formula: C14 H13 Cl N2 O6
• Calculated formula: C14 H13 Cl N2 O6
• SMILES: Oc1c(c2[nH]c3ccccc3[nH+]2)cccc1OC.[O-]Cl(=O)(=O)=O
• Title of publication: 2-(2-Hydroxy-3-methoxyphenyl)-1<i>H</i>-benzimidazol-3-ium perchlorate
• Authors of publication: Chen, Chuan; Li, Hong-Xing; Hou, Guang-Feng; Li, Guang-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1920
• a: 7.7698 ± 0.0016 Å
• b: 20.462 ± 0.004 Å
• c: 9.856 ± 0.002 Å
• α: 90°
• β: 113.09 ± 0.03°
• γ: 90°
• Cell volume: 1441.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0951
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes