Information card for entry 7061225

Structure parameters

• Chemical name: 2,5-bis(2-chloro-6-methylphenyl)thiazolo[5,4-d]thiazole
• Formula: C9 H6 Cl N S
• Calculated formula: C9 H6 Cl N S
• 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: 12.5438 ± 0.0009 Å
• b: 14.9504 ± 0.0011 Å
• c: 9.298 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1743.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2478
• Weighted residual factors for all reflections included in the refinement: 0.2688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No