Information card for entry 2312567

Structure parameters

• Chemical name: <i>N</i>-(1-Hydroxyethylidene)anilinium tetrafluoroborate–<i>N</i>-phenylacetamide (1/1)
• Formula: C16 H19 B F4 N2 O2
• Calculated formula: C16 H19 B F4 N2 O2
• SMILES: [B](F)(F)(F)[F-].OC(=[NH+]c1ccccc1)C.O=C(Nc1ccccc1)C
• Title of publication: Salt forms of amides: protonation of acetanilide.
• Authors of publication: Jaconelli, Harry S.; Kennedy, Alan R.
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 9
• a: 7.107 ± 0.0001 Å
• b: 9.5381 ± 0.0001 Å
• c: 13.3592 ± 0.0001 Å
• α: 98.765 ± 0.001°
• β: 98.034 ± 0.001°
• γ: 105.977 ± 0.001°
• Cell volume: 844.555 ± 0.017 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No