Information card for entry 2209978

Structure parameters

• Chemical name: N,N'-Bis(2-methylphenyl)oxamide
• Formula: C16 H16 N2 O2
• Calculated formula: C16 H16 N2 O2
• SMILES: O=C(C(=O)Nc1ccc(cc1)C)Nc1ccc(cc1)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-methylphenyl)oxamide
• Authors of publication: Yong-Hong Wen; Li-Li Xu; Xue-Mei Li; Shu-Sheng Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3276 - o3277
• a: 5.3504 ± 0.0013 Å
• b: 6.7371 ± 0.0017 Å
• c: 10.228 ± 0.003 Å
• α: 99.582 ± 0.004°
• β: 96.152 ± 0.004°
• γ: 106.527 ± 0.004°
• Cell volume: 343.83 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0609
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes