Information card for entry 2221617

Structure parameters

• Chemical name: 2-(Chloromethyl)benzimidazolium chloride
• Formula: C8 H8 Cl2 N2
• Calculated formula: C8 H8 Cl2 N2
• SMILES: [Cl-].ClCc1[nH]c2c([nH+]1)cccc2
• Title of publication: 2-(Chloromethyl)benzimidazolium chloride
• Authors of publication: Wang, Gang; Qu, Zhi-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1167
• a: 7.1972 ± 0.0014 Å
• b: 9.4507 ± 0.0019 Å
• c: 14.046 ± 0.003 Å
• α: 90°
• β: 102.51 ± 0.03°
• γ: 90°
• Cell volume: 932.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.115
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes