Information card for entry 2218438

Structure parameters

• Chemical name: 1-Hydroxymethyl-1-methylethanaminium chloride
• Formula: C4 H12 Cl N O
• Calculated formula: C4 H12 Cl N O
• SMILES: [Cl-].OCC([NH3+])(C)C
• Title of publication: 1-Hydroxymethyl-1-methylethanaminium chloride
• Authors of publication: Li, Yu-Feng; Feng, Mei-Li; Liu, Shan; Yang, Hai-Yu; Zhu, Hong-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1150
• a: 6.494 ± 0.0013 Å
• b: 9.523 ± 0.0019 Å
• c: 21.903 ± 0.004 Å
• α: 90°
• β: 91.88 ± 0.03°
• γ: 90°
• Cell volume: 1353.8 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes