Information card for entry 2020828

Structure parameters

• Chemical name: <i>N</i>^2^,<i>N</i>^3^-Bis(pyridin-4-ylmethyl)pyrazine-2,3-dicarboxamide
• Formula: C18 H20 N6 O4
• Calculated formula: C18 H20 N6 O4
• SMILES: O=C(NCc1ccncc1)c1nccnc1C(=O)NCc1ccncc1.O.O
• Title of publication: Crystal structure of a pyrazine-2,3-dicarboxamide ligand and of its silver(I) nitrate complex, a three-dimensional coordination polymer
• Authors of publication: Cati, Dilovan S.; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 6
• Pages of publication: 798
• a: 4.3677 ± 0.0006 Å
• b: 14.0232 ± 0.0012 Å
• c: 15.1816 ± 0.0018 Å
• α: 90°
• β: 96.153 ± 0.016°
• γ: 90°
• Cell volume: 924.5 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.767
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes