Information card for entry 2220513

Structure parameters

• Chemical name: 2-Fluoro-<i>N</i>-<i>o</i>-tolylbenzamide
• Formula: C14 H12 F N O
• Calculated formula: C14 H12 F N O
• SMILES: Cc1ccccc1NC(=O)c1ccccc1F
• Title of publication: 2-Fluoro-<i>N</i>-<i>o</i>-tolylbenzamide
• Authors of publication: Saeed, Aamer; Khera, Rasheed Ahmad; Ameen, Shahid; Simpson, Jim; Stanley, Roderick G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o201
• a: 10.749 ± 0.004 Å
• b: 4.8245 ± 0.0017 Å
• c: 21.58 ± 0.007 Å
• α: 90°
• β: 93.82 ± 0.019°
• γ: 90°
• Cell volume: 1116.6 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes