Information card for entry 2019948

Structure parameters

• Chemical name: Ethyl <i>N</i>-(2-acetylphenyl)oxalamate
• Formula: C12 H13 N O4
• Calculated formula: C12 H13 N O4
• Title of publication: Carbonyl‒carbonyl interactions and amide π-stacking as the directing motifs of the supramolecular assembly of ethyl <i>N</i>-(2-acetylphenyl)oxalamate in a synperiplanar conformation
• Authors of publication: Cabrera-Pérez, Laura C.; García-Báez, Efrén V.; Franco-Hernández, Marina O.; Martínez-Martínez, Francisco J.; Padilla-Martínez, Itzia I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: 381 - 385
• a: 16.667 ± 0.003 Å
• b: 6.48 ± 0.001 Å
• c: 10.241 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1106.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes