Crystal and Molecular Structure Studies of a Novel 1-Benzhydryl-piperazine Derivative: 1-Benzhydryl-4-(4-chloro-2-fluoro-benzene-sulfonyl)-piperazine

Abstract

The title compound 1-benzhydryl-4-(4-chloro-2-fluoro-benzenesulfonyl)-piperazine was synthesized, and structure of the product obtained was confirmed by the X-ray diffraction study. The compound C₂₃H₂₂ClFN₂O₂S crystallizes in the monoclinic crystal class in the space group P2₁/c with cell parameters a = 9.6180(7) Å , b = 12.9670(10) Å , c = 19.4020(12) Å , β = 114.716(3)°, and Z = 4. The structure has been solved by direct methods and refined to R ₁ = 0.0440 for 3877 observed reflections with I > 2σ(I). The structure reveals that the piperazine ring is in a chair conformation. The geometry around the S atom is distorted tetrahedral.

Keywords:

• chair conformation
• distorted tetrahedron
• piperazine
• sulfonamide
• X-ray crystallography

ACKNOWLEDGMENTS

The authors are greatful to DST and Government of India for financial assistance under the projects SP/I2/FOO/93 and UGC-SAP(Phase-I)No.F.540/10/DRS/2004(SAP-I). One of the authors K. Vinaya, would like to thank CSIR, Government of India for the award of Senior Research Fellowship.

Notes

¹“CCDC 705749 contains the supplementary crystallographic data for this article. These data can be obtained free of charge via www.ccdc.cam.ac.uk/conts/retrieving.html (or from The Cambridge Crystal-lographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, UK. Fax: [phone]. E-mail: [email protected]”