Information card for entry 2235891

Structure parameters

• Common name: 2-[Bis(benzoyl)amino]-1,4-naphthoquinone
• Chemical name: <i>N</i>-Benzoyl-<i>N</i>-(1,4-dioxonaphthalen-2-yl)benzamide
• Formula: C24 H15 N O4
• Calculated formula: C24 H15 N O4
• SMILES: O=C1C=C(N(C(=O)c2ccccc2)C(=O)c2ccccc2)C(=O)c2c1cccc2
• Title of publication: <i>N</i>-Benzoyl-<i>N</i>-(1,4-dioxonaphthalen-2-yl)benzamide
• Authors of publication: Brandy, Yakini; Butcher, Ray J.; Bakare, Oladapo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2379
• a: 9.8704 ± 0.0011 Å
• b: 12.6776 ± 0.0011 Å
• c: 15.6472 ± 0.0014 Å
• α: 90.735 ± 0.007°
• β: 98.213 ± 0.009°
• γ: 108.187 ± 0.009°
• Cell volume: 1837.7 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1044
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.2017
• Weighted residual factors for all reflections included in the refinement: 0.2205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes