Information card for entry 7202150

Structure parameters

• Chemical name: 2:1:2 Paracetamol:piperazine:ethanol solvate
• Formula: C12 H20 N2 O3
• Calculated formula: C12 H20 N2 O3
• Title of publication: Co-crystallisation at high pressure—an additional tool for the preparation and study of co-crystals
• Authors of publication: Oswald, Iain D. H.; Pulham, Colin R.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1114
• a: 7.544 ± 0.005 Å
• b: 8.604 ± 0.007 Å
• c: 10.394 ± 0.003 Å
• α: 93.18 ± 0.05°
• β: 97.73 ± 0.04°
• γ: 114.7 ± 0.05°
• Cell volume: 602.7 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 570000 kPa
• 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: 0.1123
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections: 0.2084
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.2084
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No