Information card for entry 2216707

Structure parameters

• Chemical name: 4-(2-Carboxyethyl)morpholin-4-ium chloride
• Formula: C7 H14 Cl N O3
• Calculated formula: C7 H14 Cl N O3
• SMILES: [Cl-].OC(=O)CC[NH+]1CCOCC1
• Title of publication: 4-(2-Carboxyethyl)morpholin-4-ium chloride
• Authors of publication: Mazur, Liliana; Pitucha, Monika; Rzaczynska, Zofia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4576 - o4576
• a: 6.024 ± 0.002 Å
• b: 11.593 ± 0.003 Å
• c: 14.095 ± 0.006 Å
• α: 90°
• β: 97.72 ± 0.03°
• γ: 90°
• Cell volume: 975.4 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1626
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes