Bis(2,4,6-triaminopyrimidin-1-ium) sulfate pentahydrate

Abstract

The asymmetric unit of the title salt, 2C4H8N5 +·SO4 2−·5H2O, contains four 2,4,6-tri­amino­pyrimidinium (TAPH+) cations, two sulfate anions and ten lattice water mol­ecules. Each two of the four TAPH+ cations form dimers via N—H⋯N hydrogen bonds between the amino groups and the unprotonated pyrimidine N atoms [graph-set motif R 2 2(8)]. The (TAPH+)2 dimers, in turn, form slightly offset infinite π–π stacks parallel to [010], with centroid–centroid distances between pyrimidine rings of 3.5128 (15) and 3.6288 (16) Å. Other amino H atoms, as well as the pyrimidinium N—H groups, are hydrogen-bonded to sulfate and lattice water O atoms. The SO4 2− anions and water mol­ecules are inter­connected with each other via O—H⋯O hydrogen bonds. The combination of hydrogen-bonding inter­actions and π–π stacking leads to the formation of a three-dimensional network with alternating columns of TAPH+ cations and channels filled with sulfate anions and water mol­ecules. One of the sulfate anions shows a minor disorder by a ca 37° rotation around one of the S—O bonds [occupancy ratio of the two sets of sites 0.927 (3):0.073 (3)]. One water mol­ecule is disordered over two mutually exclusive positions with an occupancy ratio of 0.64 (7):0.36 (7).