Information card for entry 2219461

Structure parameters

• Formula: C12 H14 N2 O2
• Calculated formula: C12 H14 N2 O2
• SMILES: O(C(=O)Cn1c2c(nc1C)cccc2)CC
• Title of publication: Ethyl 2-(2-methyl-1<i>H</i>-benzimidazol-1-yl)acetate
• Authors of publication: Xu, Guang-Hai; Wang, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1811
• a: 10.854 ± 0.002 Å
• b: 4.7959 ± 0.001 Å
• c: 11.842 ± 0.002 Å
• α: 90°
• β: 111.42 ± 0.03°
• γ: 90°
• Cell volume: 573.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes