Information card for entry 2226552

Structure parameters

• Chemical name: 4-acetylpyridinium iodide
• Formula: C7 H8 I N O
• Calculated formula: C7 H8 I N O
• SMILES: [I-].O=C(c1cc[nH+]cc1)C
• Title of publication: 4-Acetylpyridinium iodide
• Authors of publication: Xu, Jie; Fu, Xue-qun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1628
• a: 8.5144 ± 0.0017 Å
• b: 5.0926 ± 0.001 Å
• c: 21.714 ± 0.006 Å
• α: 90°
• β: 111.37 ± 0.03°
• γ: 90°
• Cell volume: 876.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes