Crystal growth, Hirshfeld analysis, optical, thermal, mechanical, and third-order non-linear optical properties of Cyclohexylammonium picrate (CHAP) single crystal.

The organic single crystals of Cyclohexylammonium picrate (CHAP) had been grown using the method of slow evaporation solution growth. A determination was made regarding the solubility of the substance. The crystal's lattice cell parameters and morphology were characterized using single-crystal X-ray diffraction and powder X-ray diffraction techniques. The HRXRD techniques were utilized to assess the crystal quality. The functional groups of CHAP material were identified through the use of FT-IR and FT-Raman analysis. A Hirshfeld surface analysis was performed to investigate the formation of hydrogen bonds between N-H⋯O and C-H⋯O molecules. The grown crystals were examined in optical and thermal investigations utilizing UV-visible and TGA, DSC techniques. Mechanical analysis is used to quantify surface properties, such as work hardening coefficient and void volume. Z-scan analysis was utilized to calculate the non-linear refractive index (n2 ), nonlinear absorption (β), and third-order non-linear susceptibility (χ3).