Information card for entry 2212439

Structure parameters

• Chemical name: 2-(4-Bromophenyl)-1H-benzimidazole
• Formula: C13 H9 Br N2
• Calculated formula: C13 H9 Br N2
• SMILES: Brc1ccc(c2[nH]c3ccccc3n2)cc1
• Title of publication: 2-(4-Bromophenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Rashid, Naghmana; Tahir, Muhammad K.; Yusof, Nurdiyana M.; Yamin, Bohari M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1260 - o1261
• a: 9.3969 ± 0.0017 Å
• b: 9.7876 ± 0.0018 Å
• c: 23.982 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2205.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes