Information card for entry 4026979

Structure parameters

• Formula: C14 H11 N3 O2
• Calculated formula: C14 H11 N3 O2
• SMILES: n12c(nc(c3ccccc3)c1N(=O)=O)c(ccc2)C
• Title of publication: Cu(I)-Catalyzed Synthesis of Imidazo[1,2-a]pyridines from Aminopyridines and Nitroolefins Using Air as the Oxidant
• Authors of publication: Ru-Long Yan; Hao Yan; Chao Ma; Zhi-Yong Ren; Xi-Ai Gao; Guo-Sheng Huang; Yong-Min Liang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 2024 - 2028
• a: 20.247 ± 0.007 Å
• b: 7.55 ± 0.003 Å
• c: 18.304 ± 0.01 Å
• α: 90°
• β: 120.519 ± 0.003°
• γ: 90°
• Cell volume: 2410.4 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No