Information card for entry 7063664

Structure parameters

• Formula: C18 H14 F N O4 S2
• Calculated formula: C18 H14 F N O4 S2
• Title of publication: Base-promoted regioselective synthesis of alkyl (2-tosyl/4-ethylcarbonyl) thiazole-5-carboxylates employing dithioates and active methylene isocyanides
• Authors of publication: Santhosh, Chikkappaiahnayaka; Singh, Krishna Ravi; Mane, Manoj V.; Sheela, Kalleshappa; Sharath, Kalleshappa; Sadashiva, Maralinganadoddi P.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 4604 - 4614
• a: 16.087 ± 0.002 Å
• b: 11.8579 ± 0.0014 Å
• c: 9.183 ± 0.0011 Å
• α: 90°
• β: 94.929 ± 0.004°
• γ: 90°
• Cell volume: 1745.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.106
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No