Growth, spectral, NLO, hardness, Hirshfeld and antibacterial activity studies of melaminium cyanoacetate monohydrate crystals

•Aqueous solution method was applied to grow melaminium cyanoacetate monohydrate (MCAM) crystal.•Results from spectral, Hirshfeld, hardness, thermal, antibacterial activity and NLO studies were interpreted.•Single crystal XRD study reveals monoclinic structure of MCAM crystal•Nonlinear refractive index of the title crystal is found to be - 4.714 × 10−10 m2/W•Antibacterial activity study indicates that the sample is active for the bacterial strain. Using double distilled water as the solvent, a crystal of melaminium cyanoacetate monohydrate (MCAM) was grown through the solution technique. The sample's structure, density, and space group have been determined using single crystal XRD and powder XRD analysis. Vickers microhardness testing was used to determine the hardness, work hardening coefficient, yield strength, and stiffness constant of MCAM crystal. TG/DTA study is was carried out to find the thermal stability and water of crystallization. The transmittance and absorbance behaviour of the sample has been tested by UV-visible spectral studies, and Tauc's plot has been analyzed. FTIR analysis has been used to determine the chemical groups present in the grown crystal. Second-order and third-order NLO effects of the sample have been studied, and it reveals that MCAM crystal has only odd-order NLO effects like third-harmonic generation. The elemental composition and photoluminescence behaviour of the sample has been analyzed. The LDT value of MCAM crystal was found by using Nd: YAG laser. Also Hirshfeld surface and antibacterial activity analyses for the sample have been carried out. [Display omitted]