Information card for entry 2201786

Structure parameters

• Chemical name: 1-Ethyl-2-nitroguanidine
• Formula: C3 H8 N4 O2
• Calculated formula: C3 H8 N4 O2
• SMILES: N(=C(\NCC)N)/N(=O)=O
• Title of publication: 1-Ethyl-2-nitroguanidine
• Authors of publication: Vasiliev, Alexander D.; Astachov, Alexander M.; Molokeev, Maxim S.; Kruglyakova, Ludmila A.; Stepanov, Rudolf S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o193 - o194
• a: 8.9336 ± 0.0009 Å
• b: 16.087 ± 0.002 Å
• c: 4.3173 ± 0.0004 Å
• α: 90°
• β: 96.119 ± 0.008°
• γ: 90°
• Cell volume: 616.93 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes