Information card for entry 2003716

Structure parameters

• Formula: C3 H5 N3 O2
• Calculated formula: C3 H5 N3 O2
• Title of publication: 4-Méthyl-1,2,4-triazolidine-3,5-dione (Méthylurazole)
• Authors of publication: Tenon, J. A.; Carles, M.; Aycard, J.-P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 7
• Pages of publication: 1440 - 1442
• a: 9.891 ± 0.002 Å
• b: 6.492 ± 0.001 Å
• c: 14.84 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 952.9 ± 0.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.051
• Goodness-of-fit parameter for significantly intense reflections: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No