Information card for entry 4510931

Structure parameters

• Common name: paracetamol
• Chemical name: acetaminophen
• Formula: C8 H9 N O2
• Calculated formula: C8 H9 N O2
• SMILES: Oc1ccc(NC(=O)C)cc1
• Title of publication: Paracetamol Form II: An Elusive Polymorph through Facile Multicomponent Crystallization Routes
• Authors of publication: Thomas, Lynne H.; Wales, Craig; Zhao, Lihua; Wilson, Chick C.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 1450
• a: 7.2028 ± 0.0002 Å
• b: 11.7764 ± 0.0003 Å
• c: 17.1677 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1456.22 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No