Nicotinium nitrate monohydrate (NNM), a novel optical material, was synthesized and its crystals were grown from an aqueous solution. The solubility and metastable zone-width of NNM were found. Single-crystal X-ray diffraction analysis was used to estimate the cell parameters of the grown crystal. The structural perfection of crystals has been analyzed using high-resolution X-ray diffraction rocking curve measurements. Functional groups in NNM were identified by Fourier transform infrared spectral analysis. Thermal behavior and stability of NNM were studied by thermogravimetric and differential thermal analyses and differential scanning calorimetry. Mechanical and dielectric properties of NNM crystals were analyzed. Optical studies reveal that NNM crystals are transparent in the wavelength range 308-1100 nm. The third order nonlinear optical parameters of NNM were derived by the Z-scan technique. (C) 2010 Elsevier B.V. All rights reserved.