<p>Slow cooling was employed to form the organometallic single crystal of lithium boro dilactate (LBDL). Single crystal X-ray diffraction shows that the LBDL compound has a space group of P2₁, classifying it as non-centrosymmetric. The cell parameters value of LBDL crystals is to be a = 6.68 Å, b = 12.24 Å, c = 11.12 Å and α, γ = 90^o and β = 96.977 (5) ^o. The crystalline nature of LBDL crystal was analyzed by powder X-ray diffraction. The pH of the solution affects both the growth kinetics and the caliber of the crystals produced. It has been shown that the crystals can form in the pH range of 1.4 to 5.8, and their shapes vary greatly due to the effect of pH on development rate. FT-IR and Laser-Raman spectra investigation verified the presence of the functional groupings. The ultraviolet-visible analysis was utilized in the direction of assess the transparency range of the generated LBDL compound and its lower cut-off wavelength is 256&#xa0;nm find out from the observed figure of LBDL crystal. Laser damage threshold analysis was conducted in single-shot laser mode. Revealed laser damage threshold value of LBDL crystal is 1.4 GW/cm². When evaluated with a Nd: YAG laser, the materials’ SHG was 1.06 times greater than KDP. Several solvents were utilized in the chemical etching analysis. The calculated etch pit density of LBDL crystal is to be 5.2 × 10⁻³ cm⁻², and its nucleation mechanism was proven to be two-dimensional with fewer dislocations. The thermogravimetric investigation indicated that the produced crystal was thermally stable upto 104&#xa0;°C. Vickers microhardness diamond indenter was used to inspect the mechanical behavior of the produced crystals. Mayer’s coefficient of LBDL crystal found to be 3.8 and its belongs to Reverse indentation size effect (RISE). The LBDL crystal’s measurement of the piezoelectric charge coefficient (d33) was to be 4.5 pC/N.</p>