Synthesis and crystal structure of 3-(3-Methylthiophen-2-yl)-1,5-diphenyl-1H-pyrazole

Abstract

The title compound, C20H16N2S, was synthesized, and the structure was investigated by X-ray crystallography and characterised by NMR and IR spectroscopy. The compound crystallizes in the orthorhombic crystal class in the space group F2dd with cell parameters a = 6.1830(5)Å, b = 27.797(5)Å, c = 38.234(7) and Z = 16. Pyrazole refers both to the class of simple aromatic ring organic compounds of the heterocyclic diazole series, characterized by a 5-membered ring structure composed of three carbon atoms and two nitrogen atoms in adjacent positions, and to the unsubstituted parent compound. Being so composed and having pharmacological effects on humans, they are classified as alkaloids, although they are rare in nature. The pyrazole ring is widely found as the core structure in a large variety of compounds that possess important agrochemical and pharmaceutical activities.1,2 Pyrazole derivatives are well known for analgesic, and antidiabetic activities.3-5 Numerous compounds containing the pyrazole moiety exhibit a wide range of biological activities, such as anti-inflammatory,6 antimicrobial,7 and antiviral8 properities. In this context, and as a part of our ongoing research on pyrazoles and their crystal structures, herein we report on the synthesis and crystal structure of the title compound. © The Japan Society for Analytical Chemistry.