Crystal structure of sperminium diphosphate hexahydrate

Abstract

The crystal and molecular structure of sperminium (4,9-diazoniadodecane-1,12-diammonium) diphosphate hexahydrate has been determined by single-crystal X-ray methods. The crystals are monoclinic, space group P2/c, with a= 1137.0(4), b= 708.2(3), c= 1513.4(3) pm, β= 98.45(2)° and Z= 2. The compound consists of fully protonated, centrosymmetric sperminium ions, diphosphate ions (P₂O₇^4–) and water molecules. The diphosphate ion has two-fold symmetry with O(1) on a two-fold axis. The P–O–P bond angle is 143.7(1)°. The sperminium ion is hydrogen bonded mainly to the diphosphate ion.