Information card for entry 2239676

Structure parameters

• Chemical name: (<i>tert</i>-Butyl)(2-hydroxyethyl)ammonium chloride
• Formula: C6 H16 Cl N O
• Calculated formula: C6 H16 Cl N O
• SMILES: [Cl-].OCC[NH2+]C(C)(C)C
• Title of publication: (<i>tert</i>-Butyl)(2-hydroxyethyl)ammonium chloride
• Authors of publication: Valerio-Cárdenas, Cintya; Hernández-Ortega, Simón; Morales-Morales, David
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: o783
• a: 8.5204 ± 0.0003 Å
• b: 7.8742 ± 0.0003 Å
• c: 14.1844 ± 0.0005 Å
• α: 90°
• β: 105.804 ± 0.001°
• γ: 90°
• Cell volume: 915.68 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.081
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes