Information card for entry 4027925

Structure parameters

• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: O(Cc1ccccc1)c1cccn2c1ncc2C=O
• Title of publication: Synthesis of Imidazo[1,2-a]pyridines: "Water-Mediated" Hydroamination and Silver-Catalyzed Aminooxygenation
• Authors of publication: Darapaneni Chandra Mohan; Sadu Nageswara Rao; Subbarayappa Adimurthy
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 1266 - 1272
• a: 9.742 ± 0.006 Å
• b: 6.73 ± 0.004 Å
• c: 18.736 ± 0.011 Å
• α: 90°
• β: 97.666 ± 0.01°
• γ: 90°
• Cell volume: 1217.4 ± 1.3 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: 0.072
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1913
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No