Information card for entry 8102511

Structure parameters

• Chemical name: 1,1,3-trimethyl-2-oxo-imidazolidinium iodide water solvate
• Formula: C6 H13 I N2 O1.13
• Calculated formula: C6 H13 I N2 O1.13
• Title of publication: Crystal structure of 1,1,3-trimethyl-2-oxoimidazolidinium iodide — water (1:0.13), [C6H13N2O]I · 0.13H2O
• Authors of publication: Wolfgang Frey; Hend Mohamed El Sehrawi; Dietrich Spitzner; Volker Jäger
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 589
• a: 11.91 ± 0.002 Å
• b: 8.0105 ± 0.0017 Å
• c: 10.071 ± 0.002 Å
• α: 90°
• β: 91.243 ± 0.017°
• γ: 90°
• Cell volume: 960.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No