Information card for entry 2237622

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(pyridin-3-yl)oxamide
• Formula: C12 H10 N4 O2
• Calculated formula: C12 H10 N4 O2
• SMILES: O=C(C(=O)Nc1cccnc1)Nc1cccnc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(pyridin-3-yl)oxamide
• Authors of publication: Liu, Shih-Miao; He, Hsiu-Yi; Chen, Jhy-Der
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o560
• a: 3.8992 ± 0.0007 Å
• b: 12.662 ± 0.002 Å
• c: 10.9678 ± 0.0017 Å
• α: 90°
• β: 97.983 ± 0.004°
• γ: 90°
• Cell volume: 536.25 ± 0.15 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes