Synthesis, single crystal structure determinations, Hirshfeld surface analysis, crystal voids, interaction energies, and density functional theory studies of functionalized …

H Aziz, A Saeed, CJ McAdam, J Simpson… - Journal of Molecular …, 2023 - Elsevier
The current research offers synthesis, single crystal X-ray structure determinations, Hirshfeld
surface analysis, interaction energies, and density functional theory calculations of
functionalized 1, 3-thiazoles (5a-5b). Consequently, the synthesized compounds were
crystalized in monoclinic crystal systems with P 2 1/c space groups. The intermolecular
interactions were visualized by Hirshfeld surface (HS) analysis. On the other hand, voids are
determined, interaction energies were calculated, and the energy frameworks were …
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