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The current research presents a novel third-order nonlinear optical single crystal named diisopropylammonium succinate by slow evaporation solution growth technique. Single-crystal X-ray diffraction and nuclear magnetic resonance techniques are utilized to validate the synthesis and formation of the titled crystal. The grown crystal belongs to monoclinic crystal system with space group P2₁/n, and its lattice parameters are found to be a = 8.3660 Å, b = 11.4818 Å, c = 13.5239 Å and β = 98.3810°. ¹H NMR and ¹³C NMR revealed the hydrogen bonds present within the molecules of crystal. The 3D visualization of intermolecular interactions was understood by the color contour of Hirshfeld surface of the grown crystal. UV–Vis and photoluminescence spectroscopic techniques are employed to understand the linear optical behavior of the reported crystal. The thermal stability of the material is …