Information card for entry 2201624

Structure parameters

• Formula: C16 H18 N4 O2
• Calculated formula: C16 H18 N4 O2
• SMILES: O=C(C(=O)NCCc1ccccn1)NCCc1ccccn1
• Title of publication: <i>N,N</i>'-Bis(2-pyridylethyl)oxamide
• Authors of publication: An-Wu Xu; Hua-Xin Zhang; Hai-Yan Tan; Bei-Sheng Kang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 10
• Pages of publication: o1164 - o1165
• a: 9.489 ± 0.006 Å
• b: 6.248 ± 0.004 Å
• c: 13.062 ± 0.008 Å
• α: 90°
• β: 100.28 ± 0.01°
• γ: 90°
• Cell volume: 762 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes