Information card for entry 2217502

Structure parameters

• Common name: urea‒dimethylacetamide
• Chemical name: Diaminomethanal‒N,N-dimethylacetamide solvate (1:1)
• Formula: C5 H13 N3 O2
• Calculated formula: C5 H13 N3 O2
• Title of publication: Urea‒<i>N,N</i>-dimethylacetamide (1/1)
• Authors of publication: Fernandes, Philippe; Florence, Alastair J.; Fabbiani, Francesca; David, William I. F.; Shankland, Kenneth
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o355 - o355
• a: 7.277 ± 0.0003 Å
• b: 17.5394 ± 0.0009 Å
• c: 7.3789 ± 0.0004 Å
• α: 90°
• β: 119.45 ± 0.003°
• γ: 90°
• Cell volume: 820.11 ± 0.07 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.1496
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes