Crystal structure and Hirshfeld surface analysis of 2,4,6-tri-amino-pyrimidine-1,3-diium dinitrate.

ABSTRACT: The title compound, C₄H₉N₅ ²⁺·2NO₃ ^-, crystallizes in the monoclinic crystal system, space group P2₁/c. The asymmetric unit, which comprises a diprotonated tri-amino-pyrimidine dication and two nitrate anions, has an almost planar geometry with a dihedral angle of 0.92 (4)° between the mean plane of the cation and that defined by both anions. In the crystal, hydrogen-bonding inter-actions between the 2,4,6-tri-amino-pyrimidine cation and the nitrate anions lead to a one-dimensional supra-molecular network with weak anionic inter-actions forming a three-dimensional network. These inter-actions were investigated using Hirshfeld surface analysis, which indicates that the most important contributions for

SUBMITTER: Dilshad S 

PROVIDER: S-EPMC9431786 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature