Information card for entry 7232756

Structure parameters

• Common name: paracetamol:methanol solvate, (1:1)
• Chemical name: acetaminophen:methanol solvate
• Formula: C9 H13 N O3
• Calculated formula: C9 H13 N O3
• Title of publication: Antisolvent addition at extreme conditions
• Authors of publication: Ward, Martin R.; Oswald, Iain D. H.
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 30
• Pages of publication: 4437
• a: 12.9717 ± 0.0015 Å
• b: 17.1881 ± 0.0009 Å
• c: 13.0437 ± 0.0019 Å
• α: 90°
• β: 116.032 ± 0.008°
• γ: 90°
• Cell volume: 2613.2 ± 0.5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.1947
• Residual factor for significantly intense reflections: 0.1291
• Weighted residual factors for significantly intense reflections: 0.3349
• Weighted residual factors for all reflections included in the refinement: 0.4172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.552
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No