Information card for entry 2227355

Structure parameters

• Chemical name: 3-(4-Methoxyphenyl)pyrido[2,3-<i>b</i>]pyrazine
• Formula: C14 H11 N3 O
• Calculated formula: C14 H11 N3 O
• SMILES: O(c1ccc(c2nc3ncccc3nc2)cc1)C
• Title of publication: 3-(4-Methoxyphenyl)pyrido[2,3-<i>b</i>]pyrazine
• Authors of publication: Wang, Cui-ping; Yan, Jing-bo; Chi, Hai-Jun; Dong, Yan; Zhang, Zhi-qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2650
• a: 6.4486 ± 0.0013 Å
• b: 7.3265 ± 0.0015 Å
• c: 24.216 ± 0.006 Å
• α: 90°
• β: 99.31 ± 0.03°
• γ: 90°
• Cell volume: 1129 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0579
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes