Information card for entry 2017309

Structure parameters

• Chemical name: <i>N</i>-(2,6-difluorophenyl)formamide
• Formula: C7 H5 F2 N O
• Calculated formula: C7 H5 F2 N O
• SMILES: c1(c(cccc1F)F)NC=O
• Title of publication: Two polymorphs of <i>N</i>-(2,6-difluorophenyl)formamide
• Authors of publication: Omondi, Bernard; Levendis, Demetrius C.; Layh, Marcus; Fernandes, Manuel A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o470 - o475
• a: 4.468 ± 0.002 Å
• b: 8.486 ± 0.003 Å
• c: 8.881 ± 0.001 Å
• α: 90°
• β: 100.698 ± 0.005°
• γ: 90°
• Cell volume: 330.87 ± 0.19 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes