Information card for entry 2213951

Structure parameters

• Chemical name: 4-bromo-2-{α-[1-(2-thienyl)benzimidazol-2-yl]benzyl}phenol
• Formula: C24 H17 Br N2 O S
• Calculated formula: C24 H17 Br N2 O S
• SMILES: Brc1ccc(O)c(c1)C(n1c(nc2ccccc12)c1sccc1)c1ccccc1
• Title of publication: 4-Bromo-2-{α-[1-(2-thienyl)benzimidazol-2-yl]benzyl}phenol
• Authors of publication: Fengke Yang; Fang Chen; Hailian Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3041 - o3041
• a: 13.623 ± 0.003 Å
• b: 9.6472 ± 0.0019 Å
• c: 16.962 ± 0.003 Å
• α: 90°
• β: 111.98 ± 0.03°
• γ: 90°
• Cell volume: 2067.2 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0714
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes