Information card for entry 2004980

Structure parameters

• Common name: 3-aminopyrazine-2-carboxylic acid
• Formula: C5 H5 N3 O2
• Calculated formula: C5 H5 N3 O2
• SMILES: OC(=O)c1nccnc1N
• Title of publication: 3-Aminopyrazine-2-carboxylic Acid
• Authors of publication: A. J. Dobson; R. E. Gerkin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1512 - 1514
• a: 3.756 ± 0.001 Å
• b: 14.191 ± 0.001 Å
• c: 10.911 ± 0.001 Å
• α: 90°
• β: 99.18 ± 0.01°
• γ: 90°
• Cell volume: 574.12 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 1.8
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No