Information card for entry 2201078

Structure parameters

• Chemical name: N,N-(dibenzoyl)-4-chloroaniline
• Formula: C20 H14 Cl N O2
• Calculated formula: C20 H14 Cl N O2
• SMILES: Clc1ccc(N(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1
• Title of publication: <i>N,N</i>-Dibenzoyl-4-chloroaniline
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Jing-Zhi Tian; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o357 - o358
• a: 10.2697 ± 0.0002 Å
• b: 9.0419 ± 0.0002 Å
• c: 17.9903 ± 0.0004 Å
• α: 90°
• β: 92.877 ± 0.001°
• γ: 90°
• Cell volume: 1668.43 ± 0.06 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.094
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes