Information card for entry 2206948

Structure parameters

• Common name: 2-(2-thienyl)quinoxaline
• Chemical name: 2-(2-thienyl)quinoxaline
• Formula: C12 H8 N2 S
• Calculated formula: C12 H8 N2 S
• SMILES: c1(nc2c(nc1)cccc2)c1sccc1
• Title of publication: 2-(2-Thienyl)quinoxaline
• Authors of publication: Crundwell, Guy; Stacy, Vanessa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3159 - o3160
• a: 5.5062 ± 0.0013 Å
• b: 16.119 ± 0.003 Å
• c: 11.939 ± 0.003 Å
• α: 90°
• β: 101.77 ± 0.02°
• γ: 90°
• Cell volume: 1037.4 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0759
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.1478
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes