Information card for entry 2312568

Structure parameters

• Chemical name: <i>N</i>-(1-Hydroxyethylidene)anilinium diiodobromide–\ <i>N</i>-phenylacetamide–diiodine (2/2/1)
• Formula: C16 H19 Br0.93 I3.07 N2 O2
• Calculated formula: C16 H19 Br0.931 I3.069 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: 5.8956 ± 0.0001 Å
• b: 18.6224 ± 0.0004 Å
• c: 19.9632 ± 0.0004 Å
• α: 90°
• β: 91.97 ± 0.002°
• γ: 90°
• Cell volume: 2190.47 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1466
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No