Information card for entry 2016755

Structure parameters

• Common name: 24p
• Chemical name: 2,4-Difluoro-<i>N</i>-(4-pyridyl)benzamide
• Formula: C12 H8 F2 N2 O
• Calculated formula: C12 H8 F2 N2 O
• SMILES: Fc1c(C(=O)Nc2ccncc2)ccc(F)c1
• Title of publication: A structural systematic study of three isomers of difluoro-<i>N</i>-(4-pyridyl)benzamide
• Authors of publication: McMahon, Joyce; Anderson, Frankie P.; Gallagher, John F.; Lough, Alan J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o493 - o497
• a: 8.3187 ± 0.0006 Å
• b: 5.5868 ± 0.0006 Å
• c: 21.715 ± 0.002 Å
• α: 90°
• β: 98.517 ± 0.006°
• γ: 90°
• Cell volume: 998.07 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 1 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: 0.1273
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes