Information card for entry 2234912

Structure parameters

• Chemical name: 2-Aminoethanaminium iodide
• Formula: C2 H9 I N2
• Calculated formula: C2 H9 I N2
• SMILES: [I-].[NH3+]CCN
• Title of publication: 2-Aminoethanaminium iodide
• Authors of publication: Kennedy, Alan R.; Okoth, Maurice O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o1731
• a: 8.138 ± 0.0002 Å
• b: 8.6259 ± 0.0002 Å
• c: 16.7854 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1178.29 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.0353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes