Information card for entry 2201227

Structure parameters

• Formula: C5 H14 N2 O2
• Calculated formula: C5 H14 N2 O2
• SMILES: [O-]C(=O)N(C)C.[NH2+](C)C
• Title of publication: <i>N,N</i>-Dimethylammonium <i>N</i>',<i>N</i>'-dimethylcarbamate
• Authors of publication: Kreher, Ulf; Raston, Colin L.; Strauss, Christopher R.; Nichols, Peter J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o948 - o949
• a: 7.4171 ± 0.0002 Å
• b: 9.2543 ± 0.0003 Å
• c: 11.0343 ± 0.0004 Å
• α: 90°
• β: 95.073 ± 0.001°
• γ: 90°
• Cell volume: 754.43 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0787
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes