Information card for entry 2008663

Structure parameters

• Chemical name: (2-hydroxyethyl)diisopropylammonium chloride
• Formula: C8 H20 Cl N O
• Calculated formula: C8 H20 Cl N O
• SMILES: [Cl-].[NH+](C(C)C)(C(C)C)CCO
• Title of publication: (2-Hydroxyethyl)diisopropylammonium chloride and its derivatives
• Authors of publication: Mahmoudkhani, Amir Hossein; Langer, Vratislav
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1163 - 1167
• a: 7.2665 ± 0.0003 Å
• b: 10.9212 ± 0.0004 Å
• c: 13.2862 ± 0.0004 Å
• α: 90°
• β: 96.477 ± 0.001°
• γ: 90°
• Cell volume: 1047.65 ± 0.07 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.078
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No