Análisis estructural y supramolecular del compuesto (e)-3',6'-dihidroxi-2-((pyridina-2-yl metileno) amino) spiro[isoidolina-1,9'-xanteno]-3-ona

Abstract

The crystalline structure of the compound (E) -3 ',6'-dihydroxy-2-((pyridine-2-and methylene) amino) spiro [iso-idoline-1,9'-xanthene] -3-one was solved and refined, using single crystal X-ray diffraction data. It was found that the compound crystallized in the triclinic P-1 space group. its unit cell present two molecules per asymmetric unit, which correspond to molecular conformers. Moreover, an analysis to determine the intermolecular interactions from the crystalline system was performed. It was observed that the crystal packing is formed mainly by hydrogen interactions type O-H••• N, and C-H•••O. Finally, the supramolecular interactions of the dimer were quantified using fingerprint plots, obtaining values of 41.4%, 12.9%, 11.1% and 10.4% for interactions type H•••H, C•••H, O•••H, H•••C respectively. The aforementioned diagrams were compared with the obtained for structurally similar molecules; their forms confirmed the differences at the supramolecular level of the compounds analyzed. With this project, it was possible to determine the structural and supramolecular characteristics of the compound. In addition, were acquired the basic concepts related to crystallography and supramolecular chemistry, both at a theoretical and experimental level.