Novel Heterocyclic Schiff Base, (Z)-4-((2-((2-Aminophenyl)disulfanyl)phenylimino) (Phenyl)Methyl)-3-Methyl-1-Phenyl-1H-Pyrazol-5-ol Crystals for Enzymatic Studies

Graphical Abstract

A new dithio Schiff base was synthesized and characterized by spectroscopic (FT-IR, UV-Vis, H¹-NMR, and C¹³-NMR) and X-ray diffraction studies. Molecular interactions (inter and intra) between the neutral entities are discussed.

Schiff base ligand, (Z)-4-((2-((2-aminophenyl)disulfanyl)phenylimino)(phenyl)methyl)-3-methyl-1-phenyl-1H-pyrazol-5-ol (1), was synthesized by the reaction between 2-phenyl-4-benzoyl-5-methyl-pyrazolin-3-one and 2-amino thio phenol (1:2 molar ratio). The structural elucidation was done by spectroscopic (FT-IR, UV-Vis, H¹-NMR, C¹³-NMR) and X-ray diffraction studies. Single crystal X-ray diffraction studies revealed that 1 has monoclinic system with space group P21/c with a = 15.654 (4) Å, b = 12.848 (4) Å, c = 14.219 (4) Å; α = 90°, β = 113.65 (6)°, γ = 90°, and Z = 4. The possible intramolecular (C-H···N) and intermolecular (C-H···O, C-H···S, N-H···O) interactions of 1 were also been discussed.

Keywords:

• Molecular interactions
• pyrazole derivatives
• Schiff base
• X-ray diffraction studies