Information card for entry 7053135

Structure parameters

• Formula: C7 H10 N6 O2
• Calculated formula: C7 H10 N6 O2
• Title of publication: Azolium azolates from reactions of neutral azoles with 1,3-dimethyl-imidazolium-2-carboxylate, 1,2,3-trimethyl-imidazolium hydrogen carbonate, and N,N-dimethyl-pyrrolidinium hydrogen carbonate
• Authors of publication: Smiglak, Marcin; Hines, C. Corey; Reichert, W. Matthew; Shamshina, Julia L.; Beasley, Preston A.; McCrary, Parker D.; Kelley, Steven P.; Rogers, Robin D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 5
• Pages of publication: 1461
• a: 6.4782 ± 0.0006 Å
• b: 26.704 ± 0.002 Å
• c: 11.0823 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1917.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No