Information card for entry 2007205

Structure parameters

• Common name: Acetaminophen
• Chemical name: 4-acetaminophenol
• Formula: C8 H9 N O2
• Calculated formula: C8 H9 N O2
• SMILES: Oc1ccc(cc1)NC(=O)C
• Title of publication: The Monoclinic Form of Acetaminophen at 150K
• Authors of publication: Dmitry Yu. Naumov; Marina A. Vasilchenko; Judith A. K. Howard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 653 - 655
• a: 7.0939 ± 0.0006 Å
• b: 9.2625 ± 0.0008 Å
• c: 11.657 ± 0.001 Å
• α: 90°
• β: 97.672 ± 0.001°
• γ: 90°
• Cell volume: 759.09 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections: 0.1119
• Weighted residual factors for significantly intense reflections: 0.1069
• Goodness-of-fit parameter for all reflections: 1.185
• Goodness-of-fit parameter for significantly intense reflections: 1.209
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes