Information card for entry 2013675

Structure parameters

• Chemical name: 1,2-Dinitroguanidine
• Formula: C H3 N5 O4
• Calculated formula: C H3 N5 O4
• SMILES: N(=O)(=O)/N=C(N)/NN(=O)=O
• Title of publication: 1,2-Dinitroguanidine
• Authors of publication: Vasiliev, Alexander D.; Astachov, Alexander M.; Molokeev, Maxim S.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o550 - o552
• a: 9.6465 ± 0.0006 Å
• b: 10.7694 ± 0.0007 Å
• c: 5.0583 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 525.49 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No