Information card for entry 2206396

Structure parameters

• Chemical name: N,N'-dibenzoylpiperazine
• Formula: C18 H18 N2 O2
• Calculated formula: C18 H18 N2 O2
• SMILES: O=C(c1ccccc1)N1CCN(CC1)C(=O)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>'-Dibenzoylpiperazine
• Authors of publication: Zheng, Peng-Wu; Wang, Wei; Duan, Xue-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2513 - o2514
• a: 7.8486 ± 0.0013 Å
• b: 6.8254 ± 0.0012 Å
• c: 28.771 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1541.3 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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 all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes