Information card for entry 2216231

Structure parameters

• Chemical name: 4-Chloro-2-[1-(5-chloro-2-hydroxybenzyl)-1<i>H</i>-benzimidazol-2-yl]phenol
• Formula: C20 H14 Cl2 N2 O2
• Calculated formula: C20 H14 Cl2 N2 O2
• SMILES: c12c(cccc1)n(c(c1c(ccc(c1)Cl)O)n2)Cc1c(ccc(c1)Cl)O
• Title of publication: 4-Chloro-2-[1-(5-chloro-2-hydroxybenzyl)-1<i>H</i>-benzimidazol-2-yl]phenol
• Authors of publication: Fang, Xiao-Niu; Liu, Li-Min; Huang, Gan-Sheng; Hu, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4881 - o4881
• a: 13.4393 ± 0.0011 Å
• b: 8.9757 ± 0.0007 Å
• c: 18.8114 ± 0.0015 Å
• α: 90°
• β: 95.033 ± 0.001°
• γ: 90°
• Cell volume: 2260.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1144
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1891
• Weighted residual factors for all reflections included in the refinement: 0.2109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes