Information card for entry 2236092

Structure parameters

• Chemical name: <i>N</i>-(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)benzamide
• Formula: C17 H11 N O3
• Calculated formula: C17 H11 N O3
• SMILES: O=C1C(=CC(=O)c2c1cccc2)NC(=O)c1ccccc1
• Title of publication: <i>N</i>-(1,4-Dioxo-1,4-dihydronaphthalen-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: 9
• Pages of publication: o2775 - o2776
• a: 6.9433 ± 0.0003 Å
• b: 12.0112 ± 0.0004 Å
• c: 15.2129 ± 0.0005 Å
• α: 90°
• β: 94.129 ± 0.003°
• γ: 90°
• Cell volume: 1265.42 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes