Information card for entry 1572817

Structure parameters

• Chemical name: 1,4-Dimethylpiperazine-2,3-dione
• Formula: C6 H10 N2 O2
• Calculated formula: C6 H10 N2 O2
• Title of publication: 1,4-Dimethylpiperazine-2,3-dione
• Authors of publication: Khamrang, Themmila; Ponraj, C.; Hemamalini, Madhukar; Antony, G. Jerald Maria; Saravanan, Dhandayutham
• Journal of publication: IUCrData
• Year of publication: 2024
• Journal volume: 9
• Journal issue: 10
• a: 7.3781 ± 0.0006 Å
• b: 8.005 ± 0.0006 Å
• c: 12.1306 ± 0.0008 Å
• α: 90°
• β: 99.767 ± 0.007°
• γ: 90°
• Cell volume: 706.07 ± 0.09 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: 0.0849
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No