Information card for entry 2213626

Structure parameters

• Chemical name: 2-Hydroxyethoxyethyl-trimethylammonium iodide
• Formula: C7 H18 I N O2
• Calculated formula: C7 H18 I N O2
• SMILES: [I-].OCCOCC[N+](C)(C)C
• Title of publication: [2-(Hydroxyethoxy)ethyl]trimethylammonium iodide
• Authors of publication: Zhang, Lingzhi; Bikzhanova, Galina A.; West, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2284 - o2285
• a: 7.5815 ± 0.0005 Å
• b: 12.6485 ± 0.0009 Å
• c: 11.412 ± 0.0008 Å
• α: 90°
• β: 102.537 ± 0.001°
• γ: 90°
• Cell volume: 1068.26 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.015
• Residual factor for significantly intense reflections: 0.014
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes