Information card for entry 2242795

Structure parameters

• Common name: 2,3-bis(thien-2-yl)pyrido[2,3-<i>b</i>]pyrazine
• Chemical name: 2,3-Bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine
• Formula: C15 H9 N3 S2
• Calculated formula: C15 H9 N3 S2
• SMILES: s1c(c2nc3c(nc2c2sccc2)cccn3)ccc1
• Title of publication: Crystal structures of 2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine and 7-bromo-2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine
• Authors of publication: Popek, Rafal; Crundwell, Guy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 1
• Pages of publication: 89 - 93
• a: 5.25147 ± 0.00012 Å
• b: 14.1093 ± 0.0003 Å
• c: 17.769 ± 0.0003 Å
• α: 90°
• β: 92.0296 ± 0.0018°
• γ: 90°
• Cell volume: 1315.76 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes