Information card for entry 2216795

Structure parameters

• Chemical name: N,N'-bis(2-acetylphenyl) ethanediamide
• Formula: C18 H16 N2 O4
• Calculated formula: C18 H16 N2 O4
• SMILES: O=C(C(=O)Nc1ccccc1C(=O)C)Nc1ccccc1C(=O)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-acetylphenyl)ethanediamide
• Authors of publication: Brewer, Greg A.; Jasinski, Jerry P.; Butcher, Ray J.; Scheidt, W. Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4887 - o4888
• a: 6.9062 ± 0.0005 Å
• b: 11.8955 ± 0.0008 Å
• c: 9.6702 ± 0.0007 Å
• α: 90°
• β: 106.402 ± 0.001°
• γ: 90°
• Cell volume: 762.1 ± 0.09 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 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: 0.0413
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes