Information card for entry 2232236

Structure parameters

• Chemical name: Ethyl 2-methyl-4-phenylpyrido[1,2-<i>a</i>]benzimidazole-3-carboxylate
• Formula: C21 H18 N2 O2
• Calculated formula: C21 H18 N2 O2
• SMILES: O=C(OCC)c1c(c2n(c3c(n2)cccc3)cc1C)c1ccccc1
• Title of publication: Ethyl 2-methyl-4-phenylpyrido[1,2-<i>a</i>]benzimidazole-3-carboxylate
• Authors of publication: Ge, Yan Qing; Ge, Hai Yan; Cao, Xiao Qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2846
• a: 10.1176 ± 0.0013 Å
• b: 14.9136 ± 0.0018 Å
• c: 12.2648 ± 0.0015 Å
• α: 90°
• β: 108.487 ± 0.002°
• γ: 90°
• Cell volume: 1755.1 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes