Information card for entry 7058445

Structure parameters

• Chemical name: 1-(4-(5-(trifluoromethyl)imidazo[1,2-a]pyrimidin-7-yl)phenyl)ethan-1-one
• Formula: C15 H10 F3 N3 O
• Calculated formula: C15 H10 F3 N3 O
• Title of publication: Efficient synthesis and preliminary biological evaluations of trifluoromethylated imidazo[1,2-a]pyrimidines and benzimidazo[1,2-a]pyrimidines
• Authors of publication: Jismy, Badr; Akssira, Mohamed; Knez, Damijan; Guillaumet, Gérald; Gobec, Stanislav; Abarbri, Mohamed
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 25
• Pages of publication: 9961
• a: 13.2871 ± 0.0006 Å
• b: 7.3989 ± 0.0004 Å
• c: 14.157 ± 0.001 Å
• α: 90°
• β: 104.735 ± 0.007°
• γ: 90°
• Cell volume: 1346 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1194
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No