Information card for entry 2011617

Structure parameters

• Common name: 2,3-Pyrazinedicarboxamide
• Chemical name: Pyrazine-2,3-dicarboxamide
• Formula: C6 H6 N4 O2
• Calculated formula: C6 H6 N4 O2
• SMILES: O=C(N)c1nccnc1C(=O)N
• Title of publication: Pyrazine-2,3-dicarboxamide
• Authors of publication: Vishweshwar, Peddy; Nangia, Ashwini; Lynch, Vincent M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1512 - 1514
• a: 5.025 ± 0.0003 Å
• b: 7.0977 ± 0.0003 Å
• c: 10.1196 ± 0.0005 Å
• α: 70.826 ± 0.003°
• β: 81.868 ± 0.003°
• γ: 81.163 ± 0.003°
• Cell volume: 335.25 ± 0.03 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No