Ponente
Descripción
The 2-phenyl-benzimidazoles are heterocyclic compounds that have been extensively studied for their applications in chemistry, biology, and materials science. Understanding the crystalline structure and structural characteristics of these compounds may provide insights into predicting their biological properties in features study. This work details the crystallographic characterization of 2-(3’-nitrophenyl)-benzimidazole, a compound not previously reported. The 2-(3’-nitrophenyl)-benzimidazole was synthesized through the conventional method, involving the reaction between benzaldehyde and o-phenylenediamine in an acetonitrile solvent. The compound was characterized by NMR. Single crystals suitable for X-ray diffraction analysis were obtained by slow evaporation from an acetonitrile solution, with dimensions of 0.26×0.16×0.08 mm$^{3}$. Data collection was performed at a steady temperature of 199.99(10) K. The structure was solved using the intrinsic phasing solution method and the model was refined by least squares minimisation. The compound crystallizes in the triclinic system, space group P$\bar{1}$ (No. 2), with four molecules per unit cell. The molecules pack within the unit cell along the ‘a’ axis. The lattice parameters are $\alpha$ = 83.171(2)°, $\beta$ = 85.664(2)°, $\gamma$ = 65.266(2)°, with a cell volume of 1190.34(4) Å$^{3}$. The crystal structure reveals water molecules packed within, forming intermolecular hydrogen bond of N-H—O with distances N—O of 2.849(3) Å and 2.776(5) Å; and O-H—N with distances O—N of 2.857(4) Å, 2.995(3) Å, 2.923(5) Å, 2.903(4) Å, 2.674(7) Å respectively.
