Information card for entry 2223859

Structure parameters

• Chemical name: Methyl pyrazine-2-carboxylate
• Formula: C6 H6 N2 O2
• Calculated formula: C6 H6 N2 O2
• SMILES: c1c(C(=O)OC)nccn1
• Title of publication: Methyl pyrazine-2-carboxylate
• Authors of publication: Zhang, Chang-Hua; Tan, Xue-Jie; Xing, Dian-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2902
• a: 3.865 ± 0.002 Å
• b: 6.69 ± 0.004 Å
• c: 24.92 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 644.4 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes