Information card for entry 2231390

Structure parameters

• Chemical name: 1,3-Diisopropyl-4,5-dimethylimidazolium benzenesulfonate
• Formula: C17 H26 N2 O3 S
• Calculated formula: C17 H26 N2 O3 S
• SMILES: S(=O)(=O)([O-])c1ccccc1.n1(c[n+](c(c1C)C)C(C)C)C(C)C
• Title of publication: 1,3-Diisopropyl-4,5-dimethylimidazolium benzenesulfonate
• Authors of publication: Sweidan, Kamal; Mallah, Eyad; Abu-Salem, Qutaiba; Steimann, Manfred; Maichle-Mössmer, Cäcilia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2205
• a: 8.8691 ± 0.0009 Å
• b: 14.1494 ± 0.0015 Å
• c: 14.32 ± 0.0014 Å
• α: 87.082 ± 0.008°
• β: 88.326 ± 0.008°
• γ: 83.988 ± 0.008°
• Cell volume: 1784.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes