| Abstrakt: |
Two salts of 1,9-dihydropurin-6-one (hypoxanthine), namely, 6-oxo-1,9-dihydropurin-7-ium 5-sulfosalicylate dihydrate, C5H5N4O+.C7H5O6S-.2H2O, (I), and 6-oxo-1,9-dihydropurin-7-ium perchlorate monohydrate, C5H5N4O+.ClO4 -.H2O, (II), have been synthesized and characterized using single-crystal X-ray diffraction and Hirshfeld analysis. In both salts, the hypoxanthine molecule is protonated at the N7 position of the purine ring. In salt (I), the cation and anion are connected through N--H...O interactions. The protonated hypoxanthine cations of salt (I) form base pairs with another symmetry-related hypoxanthine cation through N--H...O hydrogen bonds with an R² 2(8) ring motif, while in salt (II), the hypoxanthine cations are paired through a water molecule via N--H O and O--H...N hydrogen bonds with an R3 3(11) ring motif. The packings within the crystal structures are stabilized by .. stacking interactions in salt (I) and C--O...π interactions in salt (II). The combination of several interactions leads to the formation of supramolecular sheets extending parallel to (010) in salts (I) and (II). Hirshfeld surface analysis and fingerprint plots reveal that O...H/H...O contacts play the major role in the crystal packing of each of the salts, with a 54.1% contribution in salt (I) and 62.3%in salt (II). [ABSTRACT FROM AUTHOR] |
