Information card for entry 2300455

Structure parameters

• Common name: Paracetamol
• Chemical name: N-(4-hydroxyphenyl)ethanamide
• Formula: C8 H9 N O2
• Calculated formula: C8 H9 N O2
• SMILES: c1(ccc(cc1)O)NC(=O)C
• Title of publication: Simultaneous determination of several crystal structures from powder mixtures: the combination of powder X-ray diffraction, band-target entropy minimization and Rietveld methods
• Authors of publication: Schreyer, Martin; Guo, Liangfeng; Thirunahari, Satyanarayana; Gao, Feng; Garland, Marc
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2014
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 659 - 667
• a: 11.71439 ± 0.00047 Å
• b: 9.38544 ± 0.00022 Å
• c: 7.10166 ± 0.000036 Å
• α: 90°
• β: 82.5879 ± 0.000024°
• γ: 90°
• Cell volume: 774.27 ± 0.04 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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 2ybc
• Residual factor R(I) for significantly intense reflections: 0.08
• Goodness-of-fit parameter for all reflections: 17.2
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No