Information card for entry 2105749

Structure parameters

• Chemical name: (N-(2,6-difluorophenyl)formamide).(N-(2,6-dichlorophenyl)formamide) 0.73:0.27
• Formula: C7 H5 Cl1.46 F0.54 N O
• Calculated formula: C7 H5 Cl1.456 F0.544 N O
• SMILES: O=CNc1c(Cl)cccc1Cl.O=CNc1c(F)cccc1F
• Title of publication: Formation of isostructural solid solutions in 2,6-disubstituted <i>N</i>-phenylformamides and <i>N</i>-phenylthioamides
• Authors of publication: Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 106 - 114
• a: 8.522 ± 0.0002 Å
• b: 12.291 ± 0.0003 Å
• c: 14.309 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1498.78 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 1.254
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes