Information card for entry 2010271

Structure parameters

• Common name: 1-methylurazole
• Chemical name: 1-methyl-1,2,4-triazolidine-3,5-dione
• Formula: C3 H5 N3 O2
• Calculated formula: C3 H5 N3 O2
• Title of publication: Racemic 1-methyl-1,2,4-triazolidine-3,5-dione (1-methylurazole). Definitive characterization of pyramidal hydrazide N atoms and racemate intermolecular hydrogen bonding
• Authors of publication: Meyers, Cal Y.; Lutfi, Hisham G.; Kolb, Vera M.; Robinson, Paul D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1925 - 1928
• a: 19.132 ± 0.002 Å
• b: 6.717 ± 0.001 Å
• c: 3.891 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 500 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.032
• Goodness-of-fit parameter for significantly intense reflections: 1.47
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No