Information card for entry 7120416

Structure parameters

• Chemical name: 1-ethyl-3-methylimdazolium acetate 4,5-di(amidoximyl)imidazole
• Formula: C13 H22 N8 O4
• Calculated formula: C13 H22 N8 O4
• SMILES: n1(c[n+](cc1)C)CC.O=C([O-])C.[nH]1cnc(c1C(N)=NO)C(N)=NO
• Title of publication: Formation of Ionic Co-Crystals of Amphoteric Azoles Directed by the Ionic Liquid Co-Former 1-Ethyl-3-Methylimidazolium Acetate
• Authors of publication: Titi, Hatem M.; Kelley, Steven Paul; Easton, Max; Emerson, Stephen D.; Rogers, Robin D.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 15.164 ± 0.01 Å
• b: 15.217 ± 0.01 Å
• c: 15.529 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3583 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1583
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.2362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No