Information card for entry 2231062

Structure parameters

• Chemical name: 2-Chloromethyl-1-methyl-1,3-benzimidazole
• Formula: C9 H9 Cl N2
• Calculated formula: C9 H9 Cl N2
• Title of publication: 2-Chloromethyl-1-methyl-1,3-benzimidazole
• Authors of publication: Han, Jie; Zhang, Jun; Yang, Qi; Zhao, Ming-gao; Fan, Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2104
• a: 6.607 ± 0.002 Å
• b: 8.168 ± 0.002 Å
• c: 8.925 ± 0.003 Å
• α: 84.566 ± 0.003°
• β: 79.682 ± 0.004°
• γ: 68.134 ± 0.004°
• Cell volume: 439.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes