Information card for entry 7063553

Structure parameters

• Chemical name: 1,4-dihydro[1,2,3]triazolo[4,5-d][1,2,3]triazole
• Formula: C2 H2 N6
• Calculated formula: C2 H2 N6
• Title of publication: Parent 1,4-dihydro-[1,2,3]triazolo[4,5-d][1,2,3]triazole and its derivatives as precursors for the design of promising high energy density materials†
• Authors of publication: Kuznetsova, Agata; Leonov, Nikita E.; Anikin, Oleg V.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yuri A.; Novikov, Roman A.; Fedyanin, Ivan V.; Pivkina, Alla N.; Kon'kova, Tatyana S.; Sinditskii, Valery P.; Smirnova, Anastasia D.; Tartakovsky, Vladimir
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 3.59786 ± 0.00013 Å
• b: 11.9961 ± 0.0004 Å
• c: 4.7679 ± 0.0002 Å
• α: 90°
• β: 105.285 ± 0.0006°
• γ: 90°
• Cell volume: 198.505 ± 0.013 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor R(I) for significantly intense reflections: 0.00889
• Goodness-of-fit parameter for all reflections: 3.602
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No