Information card for entry 2005184

Structure parameters

• Common name: 2-chlorobenzimidazole
• Formula: C7 H5 Cl N2
• Calculated formula: C7 H5 Cl N2
• SMILES: Clc1nc2c(cccc2)[nH]1
• Title of publication: 2-Chlorobenzimidazole
• Authors of publication: Panneerselvam, K.; Soriano-García, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1799 - 1801
• a: 9.937 ± 0.004 Å
• b: 9.192 ± 0.001 Å
• c: 14.417 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1316.9 ± 0.6 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: 0.0499
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections: 0.1736
• Weighted residual factors for significantly intense reflections: 0.1515
• Goodness-of-fit parameter for all reflections: 1.231
• Goodness-of-fit parameter for significantly intense reflections: 1.259
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No