Information card for entry 4506701

Structure parameters

• Formula: C11 H16 N2 O2
• Calculated formula: C11 H16 N2 O2
• Title of publication: Crystal Design Approaches for the Synthesis of Paracetamol Co-Crystals
• Authors of publication: Srirambhatla, Vijay K.; Kraft, Arno; Watt, Stephen; Powell, Anthony V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4870
• a: 5.0174 ± 0.0005 Å
• b: 8.8907 ± 0.0009 Å
• c: 12.7562 ± 0.0014 Å
• α: 106.205 ± 0.004°
• β: 91.404 ± 0.005°
• γ: 90.153 ± 0.005°
• Cell volume: 546.23 ± 0.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0723
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No