Synthesis and physico-chemical properties of a new non-centrosymmetric 2-ammoniumbenzamide trioxonitrate crystals [C7H9N2O]NO3

• Published in: Bulletin of materials science 2018-08, Vol.41 (4), p.96
• Main Authors: Bahrouni, Yahya, Hamdaoui, Nejeh, Benhamada, Latifa
• Format: Article
• Language: English
• Subjects: Chemical properties; Chemical synthesis; Chemistry and Materials Science; Crystal structure; Dielectric loss; Dielectric properties; Engineering; Expected values; Fourier transforms; Hydrogen bonds; Materials Science; Molecular structure; Nitrates; Nonlinear optics; Optical properties; Optics; Room temperature; Single crystals; Spectrum analysis; Temperature; Thermodynamic properties; Unit cell
• ISSN: 0250-4707; 0973-7669
• DOI: 10.1007/s12034-018-1614-2

2-Ammoniumbenzamide trioxonitrate crystals (2-ABN) were prepared and grown at room temperature. This compound crystallizes in the orthorhombic system with non-centrosymmetric 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 ) Å 3 and Z = 4 . The structure refined to a reliability R factor of 4.34%. The 2-ABN structure consists of 2-ammoniumbenzamide cations ( C 7 H 9 N 2 O + ) and trioxonitrate anions ( NO 3 - ) interconnected by hydrogen bonds originating from amine group donors [ N - H ⋯ 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 ( ε ′ and ε ″ ) and dielectric loss tangent (tan ( δ )), of the crystal at different frequencies of the applied field are reported.