Information card for entry 2204153

Structure parameters

• Chemical name: 1,4-Bis(4-methoxyphenyl)piperazine-2,5-dione
• Formula: C18 H18 N2 O4
• Calculated formula: C18 H18 N2 O4
• SMILES: COc1ccc(cc1)N1CC(=O)N(CC1=O)c1ccc(cc1)OC
• Title of publication: 1,4-Bis(4-methoxyphenyl)piperazine-2,5-dione
• Authors of publication: Yong-Hong Wen; Shu-Sheng Zhang; Bao-Hui Yu; Xue-Mei Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1494 - o1496
• a: 16.9231 ± 0.0017 Å
• b: 5.8166 ± 0.0006 Å
• c: 8.058 ± 0.0008 Å
• α: 90°
• β: 92.687 ± 0.002°
• γ: 90°
• Cell volume: 792.32 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes