Information card for entry 2020894

Structure parameters

• Common name: 2,2'-Methylenedihydrazinecarboximidamide dinitrate
• Chemical name: 2,8-Diamino-1,3,4,6,7,9-hexaazanona-1,8-diene-1,9-diium dinitrate
• Formula: C3 H14 N10 O6
• Calculated formula: C3 H14 N10 O6
• SMILES: C(=[NH2+])(N)NNCNNC(=[NH2+])N.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Formaldehyde‒aminoguanidine condensation and aminoguanidine self-condensation products: syntheses, crystal structures and characterization
• Authors of publication: Buvaylo, Elena A.; Kokozay, Vladimir N.; Strutynska, Nataliia Yu.; Vassilyeva, Olga Yu.; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 2
• a: 12.6989 ± 0.0004 Å
• b: 13.0236 ± 0.0006 Å
• c: 14.1585 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2341.61 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes