Information card for entry 2222719

Structure parameters

• Common name: Glycine methyl ester hydrochloride
• Chemical name: (methoxycarbonylmethyl)ammonium chloride
• Formula: C3 H8 Cl N O2
• Calculated formula: C3 H8 Cl N O2
• SMILES: [Cl-].C(C(=O)OC)[NH3+]
• Title of publication: Glycine methyl ester hydrochloride
• Authors of publication: Vilela, Sérgio M. F.; Almeida Paz, Filipe A.; Tomé, João P. C.; de Zea Bermudez, Verónica; Cavaleiro, José A. S.; Rocha, João
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1970
• a: 8.352 ± 0.002 Å
• b: 12.505 ± 0.003 Å
• c: 5.6369 ± 0.0014 Å
• α: 90°
• β: 99.73 ± 0.009°
• γ: 90°
• Cell volume: 580.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1338
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.161
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes