Information card for entry 2201999

Structure parameters

• Chemical name: 3-[(5-Chloro-2-hydroxyphenyl)phenylmethyl]-2-(2-pyridyl)-1H-benzimidazole
• Formula: C25 H18 Cl N3 O
• Calculated formula: C25 H18 Cl N3 O
• SMILES: n1(c2c(nc1c1ncccc1)cccc2)C(c1ccccc1)c1cc(ccc1O)Cl
• Title of publication: 1-[(5-Chloro-2-hydroxyphenyl)(phenyl)methyl]-2-(2-pyridyl)-1<i>H</i>-benzimidazole
• Authors of publication: Jian, Pan-Ming; Li, Yi-Zhi; Wu, Xiao-Li; Ma, Yong-Xiang; Pan, Da-Hua; Chen, Bao-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o814 - o816
• a: 13.515 ± 0.002 Å
• b: 9.597 ± 0.002 Å
• c: 16.875 ± 0.002 Å
• α: 90°
• β: 110.01 ± 0.01°
• γ: 90°
• Cell volume: 2056.6 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes