Information card for entry 2018309

Structure parameters

• Chemical name: 2,5-bis(thiophen-2-yl)-1,3,4-selenadiazole
• Formula: C10 H6 N2 S2 Se
• Calculated formula: C10 H6 N2 S2 Se
• SMILES: [se]1c(nnc1c1sccc1)c1sccc1
• Title of publication: 2,5-Diaryl-1,3,4-selenadiazoles prepared from Woollins' reagent
• Authors of publication: Cordes, David B.; Hua, Guoxiong; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o509 - o514
• a: 10.641 ± 0.005 Å
• b: 5.134 ± 0.002 Å
• c: 19.096 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1043.2 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0687
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes