Information card for entry 2003551

Structure parameters

• Formula: C4 H7 N3 O2
• Calculated formula: C4 H7 N3 O2
• Title of publication: 4,5-Dihydro-5,5-dimethyl-3<i>H</i>-1,2,4-triazol-3-one 1-Oxide
• Authors of publication: Kettmann, V.; Svetlík, J.; Schantl, J. G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1133 - 1135
• a: 6.003 ± 0.005 Å
• b: 8.301 ± 0.006 Å
• c: 11.432 ± 0.01 Å
• α: 90°
• β: 94.39 ± 0.05°
• γ: 90°
• Cell volume: 568 ± 0.8 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.074
• Goodness-of-fit parameter for significantly intense reflections: 1.23
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No