Information card for entry 7106938

Structure parameters

• Formula: C17 H16 N2 O2
• Calculated formula: C17 H16 N2 O2
• SMILES: c1ccc(c2n1c(c(c1ccccc1)n2)C(=O)OCC)C
• Title of publication: TBAI-catalyzed oxidative coupling of aminopyridines with B-keto esters and 1,3-diones‒synthesis of imidazo[1,2-a]pyridines
• Authors of publication: Lijuan Ma; Xianpei Wang; Wei Yu; Bing Han
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11333
• a: 10.386 ± 0.006 Å
• b: 7.023 ± 0.004 Å
• c: 21.231 ± 0.01 Å
• α: 90°
• β: 111.84 ± 0.02°
• γ: 90°
• Cell volume: 1437.5 ± 1.4 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: 0.0828
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No