Information card for entry 2215006

Structure parameters

• Chemical name: 1,4-Bis(4-chlorobenzoyl)piperazine
• Formula: C18 H16 Cl2 N2 O2
• Calculated formula: C18 H16 Cl2 N2 O2
• SMILES: O=C(c1ccc(cc1)Cl)N1CCN(CC1)C(=O)c1ccc(cc1)Cl
• Title of publication: 1,4-Bis(4-chlorobenzoyl)piperazine
• Authors of publication: Jin, Hui-Min; Li, Pei-Fan; Li, Cai-Yun; Liu, Bin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3689 - o3689
• a: 11.892 ± 0.002 Å
• b: 11.413 ± 0.002 Å
• c: 12.653 ± 0.002 Å
• α: 90°
• β: 96.959 ± 0.003°
• γ: 90°
• Cell volume: 1704.7 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• 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: 0.1067
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes