Information card for entry 2227089

Structure parameters

• Chemical name: 2-(1<i>H</i>-Benzimidazol-2-yl)-4,6-dichlorophenol
• Formula: C13 H8 Cl2 N2 O
• Calculated formula: C13 H8 Cl2 N2 O
• SMILES: Clc1c(O)c(cc(Cl)c1)c1[nH]c2c(n1)cccc2
• Title of publication: 2-(1<i>H</i>-Benzimidazol-2-yl)-4,6-dichlorophenol
• Authors of publication: Han, Li-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2047
• a: 11.85 ± 0.003 Å
• b: 7.446 ± 0.003 Å
• c: 13.947 ± 0.002 Å
• α: 90°
• β: 104.261 ± 0.003°
• γ: 90°
• Cell volume: 1192.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes