Information card for entry 7053391

Structure parameters

• Common name: N-(2-oxo-1-((1Z)-1,3,3,3-tetrafluoroprop-1-en-1-yl) -1,2- dihydropyrimidin-4-yl)benzamide
• Chemical name: N-{2-oxo-1-[(1Z)-1,3,3,3-tetrafluoroprop-1-en-1-yl] -1,2-dihydropyrimidin-4-yl}benzamide
• Formula: C14 H9 F4 N3 O2
• Calculated formula: C14 H9 F4 N3 O2
• Title of publication: Fluorinated enamines of nucleobases as precursors of nucleoside analogues. Synthesis, spectroscopic and structural studies
• Authors of publication: Wójtowicz-Rajchel, Hanna; Pasikowska, Magda; Olejniczak, Anna; Katrusiak, Andrzej; Koroniak, Henryk
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 894
• a: 15.05 ± 0.002 Å
• b: 12.1206 ± 0.0019 Å
• c: 15.425 ± 0.002 Å
• α: 90°
• β: 105.596 ± 0.012°
• γ: 90°
• Cell volume: 2710.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.2454
• Weighted residual factors for all reflections included in the refinement: 0.2706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No