Information card for entry 2203484

Structure parameters

• Common name: 2,3-bis(5'-bromo-2'-thienyl)quinoxaline
• Chemical name: 2,3-bis(5-bromothien-2-yl)quinoxaline
• Formula: C16 H8 Br2 N2 S2
• Calculated formula: C16 H8 Br2 N2 S2
• SMILES: Brc1sc(c2nc3c(nc2c2sc(Br)cc2)cccc3)cc1
• Title of publication: 2,3-Bis(5-bromothien-2-yl)quinoxaline
• Authors of publication: Crundwell, Guy; Linehan, Justin; Updegraff III, James B.; Zeller, Matthias; Hunter, Allen D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o656 - o657
• a: 8.8701 ± 0.0009 Å
• b: 9.0664 ± 0.0009 Å
• c: 11.1751 ± 0.0011 Å
• α: 86.38 ± 0.002°
• β: 79.998 ± 0.002°
• γ: 62.033 ± 0.002°
• Cell volume: 781.51 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes