Information card for entry 2211987

Structure parameters

• Chemical name: 2-(2,4-Dichlorophenyl)-1H-benzimidazole
• Formula: C13 H8 Cl2 N2
• Calculated formula: C13 H8 Cl2 N2
• SMILES: Clc1c(c2[nH]c3ccccc3n2)ccc(Cl)c1
• Title of publication: 2-(2,4-Dichlorophenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Fang-Fang Jian; Huan-Qing Yu; Yuan-Biao Qiao; Tong-Ling Liang; Pu-Su Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o321 - o322
• a: 8.563 ± 0.0017 Å
• b: 9.91 ± 0.002 Å
• c: 28.694 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2435 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1346
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes