Information card for entry 2300231

Structure parameters

• Common name: acetaminophen
• Formula: C8 H9 N O2
• Calculated formula: C8 H9 N O2
• SMILES: CC(=O)Nc1ccc(cc1)O
• Title of publication: Implementation and use of robust refinement in powder diffraction in the presence of impurities
• Authors of publication: Stone, Kevin H.; Lapidus, Saul H.; Stephens, Peter W.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 3
• Pages of publication: 385 - 391
• a: 12.8865 ± 0.0002 Å
• b: 9.3822 ± 0.00017 Å
• c: 7.10147 ± 0.00014 Å
• α: 90°
• β: 115.702 ± 0.0011°
• γ: 90°
• Cell volume: 773.65 ± 0.03 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Diffraction radiation wavelength: 0.698291 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No