Information card for entry 2242796

Structure parameters

• Common name: 7-bromo-2,3-bis(thien-2-yl)pyrido[2,3-<i>b</i>]pyrazine
• Chemical name: 7-Bromo-2,3-bis(thiophen-2-yl)pyrido[2,3-<i>b</i>]pyrazine
• Formula: C15 H8 Br N3 S2
• Calculated formula: C15 H8 Br N3 S2
• SMILES: Brc1cc2nc(c3sccc3)c(nc2nc1)c1sccc1
• 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: 5.8336 ± 0.0002 Å
• b: 29.4731 ± 0.001 Å
• c: 8.316 ± 0.0003 Å
• α: 90°
• β: 95.466 ± 0.003°
• γ: 90°
• Cell volume: 1423.3 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes