Information card for entry 2000492

Structure parameters

• Formula: C19 H16 N2 O2 S3
• Calculated formula: C19 H16 Br N2 O2 S3
• Title of publication: Regioselective pyrazine ring reduction of 4-(quinoxalin-2-yl)-1,3-dithiole-2-thione
• Authors of publication: Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 11
• Pages of publication: 2075 - 2078
• a: 12.073 ± 0.002 Å
• b: 13.562 ± 0.002 Å
• c: 6.2527 ± 0.0005 Å
• α: 101.05 ± 0.09°
• β: 103.38 ± 0.08°
• γ: 70.76 ± 0.01°
• Cell volume: 932.9 ± 0.4 ų
• Cell temperature: 296 ± 1 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 significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.066
• Goodness-of-fit parameter for significantly intense reflections: 2.42
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No