Information card for entry 2236605

Structure parameters

• Chemical name: Ethyl 2,4-dimethylpyrido[1,2-<i>a</i>]benzimidazole-3-carboxylate
• Formula: C16 H16 N2 O2
• Calculated formula: C16 H16 N2 O2
• SMILES: n1c2n(cc(c(C(=O)OCC)c2C)C)c2c1cccc2
• Title of publication: Ethyl 2,4-dimethylpyrido[1,2-<i>a</i>]benzimidazole-3-carboxylate
• Authors of publication: Zhu, Ai Guo; Ma, Zhuo Ming; Li, Lin Jie; Wei, Tian Tian; Ge, Yan Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o3032
• a: 7.671 ± 0.004 Å
• b: 13.174 ± 0.007 Å
• c: 13.807 ± 0.007 Å
• α: 90°
• β: 102.68 ± 0.007°
• γ: 90°
• Cell volume: 1361.3 ± 1.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0523
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes