Information card for entry 7202475

Structure parameters

• Common name: 4-carboxy-1,3-dimethylimidazolium nitrate
• Formula: C6 H9 N3 O5
• Calculated formula: C6 H9 N3 O5
• SMILES: n1(c[n+](c(c1)C(=O)O)C)C.N(=O)(=O)[O-]
• Title of publication: Ionic liquids via reaction of the zwitterionic 1,3-dimethylimidazolium-2-carboxylate with protic acids. Overcoming synthetic limitations and establishing new halide free protocols for the formation of ILs
• Authors of publication: Smiglak, Marcin; Holbrey, John D.; Griffin, Scott T.; Reichert, W. Matthew; Swatloski, Richard P.; Katritzky, Alan R.; Yang, Hongfang; Zhang, Dazhi; Kirichenko, Kostyantyn; Rogers, Robin D.
• Journal of publication: Green Chemistry
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 90
• a: 6.628 ± 0.002 Å
• b: 11.91 ± 0.004 Å
• c: 11.538 ± 0.004 Å
• α: 90°
• β: 104.508 ± 0.007°
• γ: 90°
• Cell volume: 881.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0625
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No