Information card for entry 2205521

Structure parameters

• Chemical name: 4-acetylpyridinium chloride
• Formula: C7 H8 Cl N O
• Calculated formula: C7 H8 Cl N O
• SMILES: [Cl-].[nH+]1ccc(cc1)C(=O)C
• Title of publication: 4-Acetylpyridinium chloride
• Authors of publication: Andrzej Kochel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o926 - o927
• a: 8.442 ± 0.002 Å
• b: 7.117 ± 0.001 Å
• c: 13.162 ± 0.003 Å
• α: 90°
• β: 103.76 ± 0.03°
• γ: 90°
• Cell volume: 768.1 ± 0.3 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: 0.141
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes