Information card for entry 2201110

Structure parameters

• Chemical name: 4-acetyl-2,N-dibenzoylaniline
• Formula: C22 H17 N O3
• Calculated formula: C22 H17 N O3
• SMILES: N(c1ccc(cc1C(=O)c1ccccc1)C(=O)C)C(=O)c1ccccc1
• Title of publication: 4-Acetyl-2,<i>N</i>-dibenzoylaniline
• Authors of publication: Usman, Anwar; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Chantrapromma, Suchada; Tian, 'Jing-Zhi; Zhang, Yan; Xu, Jian-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o492 - o494
• a: 11.6177 ± 0.0006 Å
• b: 4.6546 ± 0.0002 Å
• c: 31.9119 ± 0.0016 Å
• α: 90°
• β: 93.047 ± 0.001°
• γ: 90°
• Cell volume: 1723.22 ± 0.14 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1157
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1527
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 0.871
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes