Information card for entry 2226800

Structure parameters

• Common name: Glycine ethyl ester hydrochloride
• Chemical name: 3-ethoxy-3-oxopropan-1-aminium chloride
• Formula: C4 H10 Cl N O2
• Calculated formula: C4 H10 Cl N O2
• SMILES: [Cl-].O(C(=O)C[NH3+])CC
• Title of publication: Glycine ethyl ester hydrochloride
• Authors of publication: He, Yong-Jun; Zou, Pei; Wang, Hong-Yong; Wu, Hao; Xie, Min-Hao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2115
• a: 8.965 ± 0.003 Å
• b: 12.543 ± 0.004 Å
• c: 5.972 ± 0.002 Å
• α: 90°
• β: 103.63 ± 0.005°
• γ: 90°
• Cell volume: 652.6 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0338
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes