Information card for entry 2017743

Structure parameters

• Common name: N-(β-aminoethyl)glycine hydroiodide
• Chemical name: 2-[(2-ammonioethyl)ammonio]acetate iodide
• Formula: C4 H11 I N2 O2
• Calculated formula: C4 H11 I N2 O2
• SMILES: C(=O)(C[NH2+]CC[NH3+])[O-].[I-]
• Title of publication: Graphene-like nets of hydrogen-bonded water molecules in the dihydrate of 2-[(2-ammonioethyl)amino]acetate and the structure of its anhydrous hydroiodide salt
• Authors of publication: Wiklund, Tove; McKenzie, Christine J.; Lennartson, Anders
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o410 - o413
• a: 5.7129 ± 0.0003 Å
• b: 12.4269 ± 0.0007 Å
• c: 11.656 ± 0.0007 Å
• α: 90°
• β: 98.542 ± 0.002°
• γ: 90°
• Cell volume: 818.32 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0156
• Residual factor for significantly intense reflections: 0.0138
• Weighted residual factors for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0318
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes