Information card for entry 2213479

Structure parameters

• Chemical name: N^1^,N^3^-Di-2-pyridylmalonamide
• Formula: C13 H12 N4 O2
• Calculated formula: C13 H12 N4 O2
• SMILES: n1c(NC(=O)CC(=O)Nc2ncccc2)cccc1
• Title of publication: <i>N</i>^1^,<i>N</i>^3^-Di-2-pyridylmalonamide
• Authors of publication: Hai-Yang Yu; Xin Fang; Ming-Lei Cao; Jun-Dong Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2650 - o2650
• a: 13.112 ± 0.009 Å
• b: 9.412 ± 0.005 Å
• c: 9.799 ± 0.005 Å
• α: 90°
• β: 94.3 ± 0.03°
• γ: 90°
• Cell volume: 1205.9 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0602
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes