Information card for entry 7229205

Structure parameters

• Formula: C2 H7 N O3
• Calculated formula: C2 H7 N O3
• SMILES: [O-]C(=O)C.O[NH3+]
• Title of publication: Double Salt Ionic Liquids Based on 1-Ethyl-3-Methylimidazolium Acetate and Hydroxyl-Functionalized Ammonium Acetates: Strong Effects of Weak Interactions
• Authors of publication: Pereira, Jorge F. B.; Barber, Patrick S.; Kelley, Steven Paul; Berton, Paula; Rogers, Robin D.
• Journal of publication: Phys. Chem. Chem. Phys.
• Year of publication: 2017
• a: 7.3033 ± 0.0005 Å
• b: 8.6135 ± 0.0006 Å
• c: 6.8992 ± 0.0004 Å
• α: 90°
• β: 99.565 ± 0.003°
• γ: 90°
• Cell volume: 427.97 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No