Information card for entry 8102686

Structure parameters

• Chemical name: N-benzyl-4-fluorobenzamide
• Formula: C14 H12 F N O
• Calculated formula: C14 H12 F N O
• SMILES: N(C(=O)c1ccc(F)cc1)Cc1ccccc1
• Title of publication: Crystal structure of N-benzyl-4-fluorobenzamide, C14H12FNO345
• Authors of publication: Constantin Mamat; Anke Flemming; Martin Köckerling
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 345
• a: 5.6653 ± 0.0002 Å
• b: 25.305 ± 0.001 Å
• c: 8.2832 ± 0.0003 Å
• α: 90°
• β: 92.237 ± 0.003°
• γ: 90°
• Cell volume: 1186.58 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No