Synthesis, spectroscopic characterization, single crystal XRD, Hirshfeld Surface analysis and theoretical studies (DFT) of 4-adamantyl-(2-(substitutedbenzylidene)hydrazinyl)thiazoles
Yasir Iqbal, Muhammad Haroon, Tashfeen Akhtar, Muhammad Ashfaq, Muhammad Nawaz Tahir, Lubna Rasheed, Muhammad Yousuf, Muhammad Abid Zia
Topics & Concepts
ChemistryDihedral angleDensity functional theoryMoleculeNatural bond orbitalMolecular orbitalComputational chemistryElectrophileChemical shiftCrystallographySingle crystalAtomic orbitalCarbon-13 NMRKetoneCrystal structurePhysical chemistryHydrogen bondStereochemistryOrganic chemistryCatalysisElectronPhysicsQuantum mechanicsOrganic Chemistry Cycloaddition ReactionsNonlinear Optical Materials ResearchSynthesis and biological activity