Information card for entry 2017656

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide
• Formula: C14 H14 N4 O2
• Calculated formula: C14 H14 N4 O2
• SMILES: O=C(C(=O)NCc1ccncc1)NCc1ccncc1
• Title of publication: Hydrogen-bonded supramolecular networks of <i>N</i>,<i>N</i>'-bis(4-pyridylmethyl)oxalamide and 4,4'-{[oxalylbis(azanediyl)]dimethylene}dipyridinium dinitrate
• Authors of publication: Lee, Gene-Hsiang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o241 - o244
• a: 4.7578 ± 0.0002 Å
• b: 13.8845 ± 0.0004 Å
• c: 10.1331 ± 0.0003 Å
• α: 90°
• β: 103.465 ± 0.002°
• γ: 90°
• Cell volume: 650.99 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes