Crystal Structure and Hirshfeld Surface Analysis of 2,4,6-Triaminopyrimidine Dinitrate

Abstract

The title compound, C4H9N52+center dot 2NO(3)(-), crystallizes in the monoclinic crystal system, space group P2(1)/c. The asymmetric unit, which comprises a diprotonated triaminopyrimidine dication and two nitrate anions, has an almost planar geometry with a dihedral angle of 0.92 (4)degrees between the mean plane of the cation and that defined by both anions. In the crystal, hydrogen-bonding interactions between the 2,4,6-triaminopyrimidine cation and the nitrate anions lead to a one-dimensional supramolecular network with weak anionic interactions forming a three-dimensional network. These interactions were investigated using Hirshfeld surface analysis, which indicates that the most important contributions for the packing arrangement are from O center dot center dot center dot H/H center dot center dot center dot O (53.2%), N center dot center dot center dot H/H center dot center dot center dot N (12.5%) and C center dot center dot center dot H/H center dot center dot center dot C (9.6%) interactions. Energy framework analysis showed that of the components of the framework energies, electrostatic repulsion (E-rep) is dominant.