Information card for entry 2021121

Structure parameters

• Chemical name: 1-Carboxymethyl-3-ethylimidazolium chloride
• Formula: C7 H11 Cl N2 O2
• Calculated formula: C7 H11 Cl N2 O2
• SMILES: c1n(cc[n+]1CC(=O)O)CC.[Cl-]
• Title of publication: Synthesis, structural characterization and luminescence properties of 1-carboxymethyl-3-ethylimidazolium chloride
• Authors of publication: Prodius, Denis; Wilk-Kozubek, Magdalena; Mudring, Anja-Verena
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 6
• a: 10.2225 ± 0.0016 Å
• b: 9.6736 ± 0.0016 Å
• c: 10.2678 ± 0.0017 Å
• α: 90°
• β: 112.165 ± 0.008°
• γ: 90°
• Cell volume: 940.3 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes