Information card for entry 2243965

Structure parameters

• Chemical name: 2,2,2-Trifluoro-1-(7-methylimidazo[1,2-<i>a</i>]pyridin-3-yl)ethan-1-one
• Formula: C10 H7 F3 N2 O
• Calculated formula: C10 H7 F3 N2 O
• SMILES: FC(F)(F)C(=O)c1n2c(nc1)cc(cc2)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of 2,2,2-trifluoro-1-(7-methylimidazo[1,2-<i>a</i>]pyridin-3-yl)ethan-1-one
• Authors of publication: Guseinov, Firudin I.; Kobrakov, Konstantin I.; Ugrak, Bogdan I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 1
• Pages of publication: 12 - 17
• a: 5.4384 ± 0.0001 Å
• b: 8.8298 ± 0.0002 Å
• c: 10.0744 ± 0.0002 Å
• α: 102.501 ± 0.002°
• β: 96.764 ± 0.002°
• γ: 91.415 ± 0.002°
• Cell volume: 468.387 ± 0.017 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes