Der Pharma Chemica
Journal for Medicinal Chemistry, Pharmaceutical Chemistry, Pharmaceutical Sciences and Computational Chemistry


Synthesis, Characterization, Crystal Structure and Hirshfeld Surface Analysis of 2-[1-(4-butylphenyl)-4,5-diphenyl-1H-imidazol-zyl]phenol

Author(s): Anil Kumar R, Naveen S, Karthik Kumara, Mahadevan KM, Bhojyanaik HS, Lokanath NK

The title compound 2-[1-(4-butylphenyl)-4,5-diphenyl-1H-imidazol-zyl]phenol has been synthesized by the reaction of appropriate mole quantities of 4-Butylaniline, benzil, ammonium acetate, salicylaldehyde in one pot reaction and characterized by Nuclear Magnetic Resonance (NMR) and IR techniques and finally the molecular structure was confirmed by single crystal X-ray diffraction studies. The title compound C31H28N2O crystallizes in the monoclinic crystal system, in P21/n space group with unit cell parameters, a=10.0330(3) Å, b=14.7203(4) Å, c=16.9169(5) Å, β=101.596(1) Å and Z=4. The crystal structure of the title compound exhibit CH···N and OH···N hydrogen bonding interactions and contributes to the structural stability. Molecular structure is also stabilized by CH···π interactions. Further, the Hirshfeld surface analysis; fingerprint plot reveals the percentage contribution from each individual molecular contact, and it shows that the H···H interactions has the major contribution (61.8%).