Information card for entry 7061227

Structure parameters

• Chemical name: 2,5-bis(2,6-difluorophenyl)thiazolo[5,4-d]thiazole
• Formula: C16 H6 F4 N2 S2
• Calculated formula: C16 H6 F4 N2 S2
• Title of publication: Straightforward synthesis of thiazolo[5,4-c]isoquinolines from dithiooxamide and 2-halobenzaldehydes
• Authors of publication: Costa, Letícia D.; Guieu, Samuel; Faustino, Maria do Amparo F.; Tomé, Augusto C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 8
• Pages of publication: 3602 - 3615
• a: 3.8831 ± 0.0002 Å
• b: 11.9865 ± 0.0007 Å
• c: 15.5339 ± 0.0009 Å
• α: 83.534 ± 0.002°
• β: 83.375 ± 0.003°
• γ: 84.296 ± 0.003°
• Cell volume: 710.89 ± 0.07 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: 0.0302
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No