CRYSTAL AND MOLECULAR-STRUCTURE OF DIMETHYL-[1,2,4]TRIAZOLOLIUM-N3-[1,5-A]PYRIMIDINE) HEXACHLOROSTANNATE - [HDMTP](2)[SNCL6]

The crystal and molecular structure of [Hdmtp](2)[SnCl6], C14H18Cl6N8S n, (where Hdmtp is 5,7- dimethyl-[1,2,4]triazololium-N3-[1,5-a]pyrimid ine) has been determined at room temperature. The colorless crystals a re triclinic, space group P (1) over bar with unit cell dimensions a = 9.259(1) Angstrom, b = 9.479(1) Angstrom, c = 7.9447(9) Angstrom, alp ha = 113.245(9)degrees, beta = 114.810(9)degrees, gamma = 62.523(8)deg rees, Z = 1 and D-x = 1.931 Mg m(-3). The structure was refined by a f ull-matrix least-squares procedure on F to final R = 0.026 using 2529 reflections. The lattice is comprised of centrosymmetric [SnCl6](2-) d ianions and [Hdmtp](+) cations in the ratio 1:2. The [Hdmtp](+) cation has been shown to be protonated at N(3) and to be associated to a cen trosymmetrically related cation via N(3)-H ... N(4) hydrogen bonding.