Information card for entry 4135608

Structure parameters

• Common name: methyl nitrocarbamate
• Chemical name: methyl nitrocarbamate
• Formula: C2 H4 N2 O4
• Calculated formula: C2 H4 N2 O4
• Title of publication: Nitrocarbamoyl Azide O₂NN(H)C(O)N₃: A Stable but Highly Energetic Member of the Carbonyl Azide Family.
• Authors of publication: Benz, Maximilian; Klapötke, Thomas M; Krumm, Burkhard; Lommel, Marcus; Stierstorfer, Jörg
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2021
• Journal volume: 143
• Journal issue: 3
• Pages of publication: 1323 - 1327
• a: 7.6411 ± 0.001 Å
• b: 7.7969 ± 0.0011 Å
• c: 8.3332 ± 0.0013 Å
• α: 99.142 ± 0.012°
• β: 90.045 ± 0.012°
• γ: 103.622 ± 0.012°
• Cell volume: 475.99 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0667
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No