Information card for entry 2220001

Structure parameters

• Chemical name: 3-Fluoro-<i>N</i>-(<i>p</i>-tolyl)benzamide
• Formula: C14 H12 F N O
• Calculated formula: C14 H12 F N O
• SMILES: Fc1cc(ccc1)C(=O)Nc1ccc(cc1)C
• Title of publication: 3-Fluoro-<i>N</i>-(<i>p</i>-tolyl)benzamide
• Authors of publication: Saeed, Aamer; Khera, Rasheed Ahmad; Gotoh, Kazuma; Ishida, Hiroyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2098
• a: 27.645 ± 0.003 Å
• b: 5.2618 ± 0.0006 Å
• c: 15.892 ± 0.002 Å
• α: 90°
• β: 93.519 ± 0.003°
• γ: 90°
• Cell volume: 2307.3 ± 0.5 ų
• Cell temperature: 223 ± 1 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1114
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.2398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes