Information card for entry 2232500

Structure parameters

• Chemical name: Methyl pyrido[2,3-<i>b</i>]pyrazine-3-carboxylate
• Formula: C9 H7 N3 O2
• Calculated formula: C9 H7 N3 O2
• SMILES: O(C(=O)c1nc2ncccc2nc1)C
• Title of publication: Methyl pyrido[2,3-<i>b</i>]pyrazine-3-carboxylate
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Hazra, Anita; Goswami, Shyamaprosad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3120
• a: 9.5135 ± 0.0001 Å
• b: 26.9042 ± 0.0003 Å
• c: 6.7837 ± 0.0001 Å
• α: 90°
• β: 107.686 ± 0.001°
• γ: 90°
• Cell volume: 1654.24 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0495
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes