Information card for entry 2011924

Structure parameters

• Chemical name: nitrocarbamimidoyl azide
• Formula: C H2 N6 O2
• Calculated formula: C H2 N6 O2
• SMILES: C(=N\N(=O)=O)(\N)N=N#N
• Title of publication: Nitroguanyl azide
• Authors of publication: Vasiliev, Alexander D.; Astachov, Alexander M.; Nefedov, Andrey A.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 625 - 626
• a: 9.9302 ± 0.0008 Å
• b: 7.9433 ± 0.0009 Å
• c: 7.1288 ± 0.0008 Å
• α: 98.31 ± 0.01°
• β: 110.58 ± 0.01°
• γ: 75.108 ± 0.009°
• Cell volume: 507.83 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.036
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes