Information card for entry 2312565

Structure parameters

• Chemical name: <i>N</i>-(1-Hydroxyethylidene)anilinium bromide–<i>N</i>-phenylacetamide (1/1)
• Formula: C16 H19 Br N2 O2
• Calculated formula: C16 H19 Br N2 O2
• 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: 7.8794 ± 0.0002 Å
• b: 9.7748 ± 0.0003 Å
• c: 16.272 ± 0.0004 Å
• α: 104.385 ± 0.003°
• β: 98.342 ± 0.002°
• γ: 96.386 ± 0.002°
• Cell volume: 1186.86 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No