• Uttam Mandal

The purpose of this study is to show how valuable Hirshfeld surface analysis (HSA) in conjunction with 2D fingerprint plots is as a graphical tool for comprehending intermolecular interactions in crystalline Schiff base metal complex. A crystallographic information file (cif) of the Cobalt complex with Schiff base ligand of 2-thiopheneethylamine and salicylaldehyde was used as input in this paper to generate the Hirshfeld surface, a two-dimensional fingerprint plot, and an energy frame work using the Crystal Explorer 17 software. Hirshfeld surface mapped over di,de,dnorm, shape index and curvedness. It was found by molecular Hirshfeld surface analysis and 2D fingerprint plots that C-H interactions (14.3%) and H-H interactions (62.5%) make up the majority of the contribution. With the functional basis set to HF/3-21G, the energy frameworks were generated for molecules within 3.8 radius of the central molecule. The calculations for the energy framework showed that the dispersion energy is dominant. A void volume investigation has proven the mechanical strength of crystal.

Hirshfeld surface, fingerprint plots, intermolecular interaction, energy framework,

"HIRSHFELD SURFACE, VOID VOLUME AND ENERGY FRAME WORKS ANALYSIS OF COBALT COMPLEX WITH SCHIFF BASE LIGAND OF 2-THIOPHENEETHYLAMINE AND SALICYLALDEHYDE", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.10, Issue 3, page no.d536-d541, March-2023, Available :http://www.jetir.org/papers/JETIR2303369.pdf

"HIRSHFELD SURFACE, VOID VOLUME AND ENERGY FRAME WORKS ANALYSIS OF COBALT COMPLEX WITH SCHIFF BASE LIGAND OF 2-THIOPHENEETHYLAMINE AND SALICYLALDEHYDE", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.10, Issue 3, page no. ppd536-d541, March-2023, Available at : http://www.jetir.org/papers/JETIR2303369.pdf