• Rakesh Vithalrao Patil
• Madhukar Gangadhar Kasar
• Yogita Yadav

4-Phenylsulfonyl-2,3,5,6-tetrachloropyridine was synthesized by the reaction of pentachloropyridine with sodium benzenesulfonate under ultrasonic irradiation. This new methodology provides the excellent yield in a very short reaction time at 0 °C. In the presence of ultrasound irradiation, the yield was 90% after 8 min, while was 85% after 10 h by using our previously established method The substituent effect in meta and para positions of phenyl ring on intramolecular halogen bond strength was also investigated by theoretical studies. The calculations were performed with Gaussian 09 software at the M05-2X/6-311++G(d,p) level. The results show that one of the oxygen atoms of the SO2 group is co-planer with the pyridine ring and the other oxygen atom is out of this plane. It was also observed that the electron-withdrawing groups in meta and para positions reinforce the halogen bond that the oxygen atom of the SO2 group is co-planer with pyridine ring. An opposite behavior was observed for electron-donating groups.

Pentachloropyridine, 2,3,5,6-Tetrachloro-4-phenylsulphonylpyridine, Synthesis, Ultrasound irradiation, Halogen bond

"Synthesis and Study of 4-Phenylsulfonyl-2,3,5,6-tetrachloropyridine Structure", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.10, Issue 1, page no.g268-g278, January-2023, Available :http://www.jetir.org/papers/JETIR2301636.pdf

"Synthesis and Study of 4-Phenylsulfonyl-2,3,5,6-tetrachloropyridine Structure", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.10, Issue 1, page no. ppg268-g278, January-2023, Available at : http://www.jetir.org/papers/JETIR2301636.pdf