Information card for entry 7240547

Structure parameters

• Common name: 2-(2-Bromophenyl)-1H-benzimidazole
• Chemical name: 2-(2-Bromophenyl)-1H-benzimidazole
• Formula: C13 H9 Br N2
• Calculated formula: C13 H9 Br N2
• Title of publication: Methods for easy recognition of isostructurality - Lab Jack-like crystal structures of halogenated 2-phenylbenzimidazoles
• Authors of publication: Bombicz, Petra Alexandra; May, Nóra Veronika; Fegyverneki, Daniel; Saranchimeg, Avirmed; Bereczki, Laura
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 7.007 ± 0.003 Å
• b: 9.936 ± 0.003 Å
• c: 32.745 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2279.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No