Information card for entry 8104836

Structure parameters

• Chemical name: 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O? C~10~H~5~F~5~N~2~O~1~
• Formula: C10 H5 F5 N2 O
• Calculated formula: C10 H5 F5 N2 O
• Title of publication: Crystal structure of 6,7-difluoro-1-methyl-3-(trifluoromethyl)quinoxalin-2(1H)-one, C10H5F5N2O
• Authors of publication: Mi, Xia; Hou, Xuehui; Cui, Beibei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 2
• Pages of publication: 377 - 378
• a: 9.3018 ± 0.0002 Å
• b: 25.1396 ± 0.0007 Å
• c: 8.9439 ± 0.0002 Å
• α: 90°
• β: 102.005 ± 0.003°
• γ: 90°
• Cell volume: 2045.73 ± 0.09 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: 0.0652
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No