Information card for entry 2012237

Structure parameters

• Chemical name: 1-Amino-2-nitraminoethane
• Formula: C2 H7 N3 O2
• Calculated formula: C2 H7 N3 O2
• SMILES: N(=O)(=O)[N-]CC[NH3+]
• Title of publication: 1-Amino-2-nitraminoethane
• Authors of publication: Vasiliev, Alexander D.; Astachov, Alexander M.; Kekin, Yuri V.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: 1192 - 1193
• a: 4.3449 ± 0.0002 Å
• b: 6.2955 ± 0.0003 Å
• c: 8.5432 ± 0.0005 Å
• α: 105.24 ± 0.005°
• β: 92.743 ± 0.004°
• γ: 96.356 ± 0.004°
• Cell volume: 223.36 ± 0.02 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: 0.032
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes