Information card for entry 2206212

Structure parameters

• Common name: 2,5-dibenzoyl-1,4-phenylenediamine
• Chemical name: 2,5-dibenzoyl-1,4-phenylenediamine
• Formula: C20 H16 N2 O2
• Calculated formula: C20 H16 N2 O2
• SMILES: O=C(c1cc(N)c(cc1N)C(=O)c1ccccc1)c1ccccc1
• Title of publication: 2,5-Dibenzoyl-1,4-phenylenediamine
• Authors of publication: Zhu, Hong-Jun; Wang, Dan-Dan; Song, Guang-Liang; Wang, Jin-Tang; Wang, Ke-Le
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2209 - o2210
• a: 7.4651 ± 0.0015 Å
• b: 13.0034 ± 0.0016 Å
• c: 15.9759 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1550.8 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes