Synthesis and physico-chemical properties of a new non-centrosymmetric 2-ammoniumbenzamide trioxonitrate crystals [$\text {C}_{7}\text {H}_{9}\text {N}_{2}\hbox {O}]\text {NO}_{3}$

Abstract

2-Ammoniumbenzamide trioxonitrate crystals (2-ABN) were prepared and grown at room temperature. This compound crystallizes in the orthorhombic system with non-centrosymmetric $\hbox {P}2_{1}2_{1}2_{1}$ space group. The unit cell dimensions are a = 4.8900(9) Å, $b = 9.5541(19)$ Å, $c = 18.961(4)$ Å with $V = 885.8(3)\,{\AA }^{3}$ and $Z = 4$. The structure refined to a reliability R factor of 4.34%. The 2-ABN structure consists of 2-ammoniumbenzamide cations $(\text {C}_{7}\text {H}_{9}\text {N}_{2}\hbox {O}^{+})$ and trioxonitrate anions $(\hbox {NO}_3^- )$ interconnected by hydrogen bonds originating from amine group donors [$\hbox {N}{-}\hbox {H}\cdots \hbox {O}$], so as to build a three-dimensional arrangement. The crystal structure, the thermal behaviour and the IR spectroscopic studies were discussed. The optical studies reveal that the 2-ABN crystal could be a good candidate for nonlinear optical devices. The dielectric properties, real and imaginary dielectric permittivities ($\varepsilon ^{\prime }$ and $\varepsilon ^{{\prime \prime }}$) and dielectric loss tangent (tan ($\delta$)), of the crystal at different frequencies of the applied field are reported.