Information card for entry 7202474

Structure parameters

• Common name: 2-carboxy-1,3-dimethylimidazolium NO3 H2O
• Formula: C6 H11 N3 O6
• Calculated formula: C6 H11 N3 O6
• SMILES: n1(c([n+](cc1)C)C(=O)O)C.N(=O)(=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: 6.43 ± 0.004 Å
• b: 6.715 ± 0.004 Å
• c: 11.544 ± 0.007 Å
• α: 87.486 ± 0.012°
• β: 80.11 ± 0.012°
• γ: 80.82 ± 0.01°
• Cell volume: 484.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0928
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No