Information card for entry 1553781

Structure parameters

• Common name: N-Methylcarbamoyl
• Formula: C2 H4 N4 O
• Calculated formula: C2 H4 N4 O
• Title of publication: N-Methylcarbamoyl azide: spectroscopy, X-ray structure and decomposition via methylcarbamoyl nitrene
• Authors of publication: Wan, Huabin; Li, Hongmin; Xu, Jian; Wu, Zhuang; Liu, Qifan; Chu, Xianxu; Abe, Manabu; Bégué, Didier; Zeng, Xiaoqing
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 1839
• a: 5.0951 ± 0.0004 Å
• b: 6.0539 ± 0.0006 Å
• c: 14.8931 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 459.38 ± 0.07 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 2.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No