Information card for entry 2232867

Structure parameters

• Chemical name: <i>N</i>-(2-Azaniumylethyl)carbamate monohydrate
• Formula: C3 H10 N2 O3
• Calculated formula: C3 H10 N2 O3
• SMILES: O.O=C([O-])NCC[NH3+]
• Title of publication: <i>N</i>-(2-Azaniumylethyl)carbamate monohydrate
• Authors of publication: Shao, Bo; Wang, Hai-Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3201
• a: 8.0301 ± 0.0006 Å
• b: 8.7842 ± 0.0007 Å
• c: 8.1748 ± 0.0006 Å
• α: 90°
• β: 98.889 ± 0.001°
• γ: 90°
• Cell volume: 569.71 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0348
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes