Crystal Structure and Characterization of Novel Schiff Base: (Z)-4-(((2-hydroxy phenyl)amino)(phenyl)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one

Abstract

The crystal structure of the amine tautomer of the new Schiff base derived from 5-methyl-2-phenyl-4-benzoyl pyrazolin-3-one with 2-amino phenol was obtained using single crystal X-ray diffraction (XRD). Weak interactions including intermolecular forces, metal–ion coordination, electrostatic forces, van der Waals interactions, and donor–acceptor interactions are responsible for the organized entities of higher complexity.

A novel Schiff base crystal: (Z)-4-(((2-hydroxy phenyl)amino)(phenyl)methylene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one was synthesized and grown from alcoholic solution. Single crystal X-ray diffraction (XRD) shows that the compound crystallizes in the triclinic crystal system with space group p-1 with a = 7.1822(3) , b = 11.0015(4), c = 13.6353(5) ; α = 111.715(10)°, β = 92.255 (2)°, γ = 106.002 (2)°, and Z = 2. FTIR, UV/Vis, H¹ NMR, and CHN have been employed to characterize the crystal. Thermal stability and the weak interactions among the neutral entities have also been investigated.

GRAPHICAL ABSTRACT

Keywords:

• Pyrazole derivatives
• Schiff base
• tautomer
• thermo gram
• weak interactions
• X-ray structure

Acknowledgment

MG wishes to thank University Grants Commission, New Delhi for providing Faculty Improvement Programme for Ph.D.