Information card for entry 2235719

Structure parameters

• Chemical name: 1,4-Bis(3-methylphenyl)piperazine-2,5-dione
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: Cc1cccc(c1)N1CC(=O)N(CC1=O)c1cccc(c1)C
• Title of publication: 1,4-Bis(3-methylphenyl)piperazine-2,5-dione
• Authors of publication: Liu, Yongjun; Sun, Xuefeng; Wen, Yonghong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2115
• a: 12.6608 ± 0.0015 Å
• b: 6.1508 ± 0.0007 Å
• c: 19.223 ± 0.002 Å
• α: 90°
• β: 95.142 ± 0.002°
• γ: 90°
• Cell volume: 1490.9 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.072
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.1368
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes