Information card for entry 4507672

Structure parameters

• Common name: 1,2-dimethylimidazolium chloride
• Formula: C10 H17 Cl N4
• Calculated formula: C10 H17 Cl N4
• SMILES: [Cl-].n1(c([nH+]cc1)C)C.n1(c(ncc1)C)C
• Title of publication: Understanding the Effects of Ionicity in Salts, Solvates, Co-Crystals, Ionic Co-Crystals, and Ionic Liquids, Rather than Nomenclature, Is Critical to Understanding Their Behavior
• Authors of publication: Kelley, Steven P.; Narita, Asako; Holbrey, John D.; Green, Keith D.; Reichert, W. Matthew; Rogers, Robin D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 965
• a: 13.737 ± 0.004 Å
• b: 9.975 ± 0.003 Å
• c: 8.836 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1210.8 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No