Information card for entry 7156889

Structure parameters

• Formula: C13 H9 F N2
• Calculated formula: C13 H9 F N2
• Title of publication: Iodine mediated oxidative cross coupling of 2-aminopyridine and aromatic terminal alkyne: a practical route to imidazo[1,2-a]pyridine derivatives.
• Authors of publication: Samanta, Surya Kanta; Bera, Mrinal K.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 26
• Pages of publication: 6441 - 6449
• a: 11.6177 ± 0.001 Å
• b: 14.1889 ± 0.0012 Å
• c: 6.2178 ± 0.0005 Å
• α: 90°
• β: 91.299 ± 0.002°
• γ: 90°
• Cell volume: 1024.69 ± 0.15 ų
• Cell temperature: 293 ± 0.2 K
• Ambient diffraction temperature: 293 ± 0.2 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: 0.0835
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No