Information card for entry 2225863

Structure parameters

• Chemical name: 5,6-Di-2-thienyl-2,3-dihydropyrazine
• Formula: C12 H10 N2 S2
• Calculated formula: C12 H10 N2 S2
• SMILES: s1cccc1C1=NCCN=C1c1sccc1
• Title of publication: 5,6-Di-2-thienyl-2,3-dihydropyrazine
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1062
• a: 5.5006 ± 0.0009 Å
• b: 7.5246 ± 0.0012 Å
• c: 14.116 ± 0.002 Å
• α: 90°
• β: 97.902 ± 0.005°
• γ: 90°
• Cell volume: 578.71 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes