Information card for entry 2105080

Structure parameters

• Common name: Fom
• Chemical name: 2-Fluoro-N-(pyridin-3-yl)benzamide
• Formula: C12 H9 F N2 O
• Calculated formula: C12 H9 F N2 O
• Title of publication: Structural systematics and conformational analyses of a 3 ×3 isomer grid of fluoro-<i>N</i>-(pyridyl)benzamides: physicochemical correlations, polymorphism and isomorphous relationships
• Authors of publication: Mocilac, Pavle; Donnelly, Katie; Gallagher, John F.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: 189 - 203
• a: 16.2051 ± 0.0004 Å
• b: 5.2239 ± 0.0001 Å
• c: 35.8162 ± 0.0009 Å
• α: 90°
• β: 98.405 ± 0.003°
• γ: 90°
• Cell volume: 2999.41 ± 0.12 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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 all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes