Synthesis, spectral, thermal, mechanical and structural characterization of NLO active organic salt crystal: 3,5-Dimethylpyrazolium-3-Nitrophthalate

• Single crystals were grown by slow evaporation solution growth technique.
• The crystal structure was confirmed by single crystal X-ray diffraction analysis.
• The thermal stability of the compound was investigated by TG/DTA analyses.
• The SHG efficiency was found to be 1.34 times that of the KDP crystal.

An organic salt, 3,5-Dimethylpyrazolium-3-Nitrophthalate (DMPNP) has been successfully synthesized and single crystals grown by slow solvent evaporation solution growth technique at room temperature using Millipore water of resistivity 18 Ω. The formation of salt has been confirmed by single crystal X-ray diffraction and NMR spectroscopic techniques. The title crystal crystallizes in monoclinic crystal system with non-centrosymmetric space group, P21. FT-IR spectral analysis was used to confirm the presence of various functional groups in the grown crystal. The thermal stability of the compound was investigated by carrying out TG/DTA analyses simultaneously. The UV–vis–NIR transmission spectrum was recorded to find the optical transmittance window and lower cut off wavelength of the salt crystal. The Vicker's microhardness test was carried out to find the mechanical strength of the crystal. The prevailing SHG property in the grown crystal was investigated by the modified Kurtz and Perry powder technique.