Information card for entry 1558091

Structure parameters

• Chemical name: 2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride
• Formula: C5 H9 Cl N2
• Calculated formula: C5 H9 Cl N2
• SMILES: [Cl-].[nH]1cc[n+](c1C)C
• Title of publication: 2,3-Dimethyl-1<i>H</i>-imidazol-3-ium chloride
• Authors of publication: Anderson, Grace; Mirjafari, Arsalan; Zeller, Matthias; Hillesheim, Patrick C.
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 5
• Pages of publication: x200660
• a: 6.3076 ± 0.0004 Å
• b: 9.549 ± 0.0006 Å
• c: 11.3951 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 686.34 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes