Information card for entry 7160355

Structure parameters

• Formula: C20 H13 F3 N2 S
• Calculated formula: C20 H13 F3 N2 S
• Title of publication: Iodine-mediated regioselective C-3 sulfenylation using elemental sulfur and arylhydrazine hydrochloride to access 3-sulfenylated imidazo[1,2-<i>a</i>]pyridines.
• Authors of publication: Kishor, Kaushal; Prabhakar, Neha Sharma; Singh, Krishna Nand
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 10
• Pages of publication: 2418 - 2423
• a: 8.7193 ± 0.0001 Å
• b: 10.1829 ± 0.0001 Å
• c: 18.9834 ± 0.0002 Å
• α: 90°
• β: 90.138 ± 0.001°
• γ: 90°
• Cell volume: 1685.49 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0391
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No