%0 Journal Article
%T Molecular and Crystal Structure of a New High Energy Density Material: Aminoguanidinium-styphnate, [H2NNHC(NH2)2]2[C6HO2(NO2)3]
%A Raik Deblitz
%A Cristian G. Hrib
%A Georg Plenikowski
%A Frank T. Edelmann
%J Crystals
%D 2012
%I MDPI AG
%R 10.3390/cryst2010034
%X The title compound [H 2NNHC(NH 2) 2] 2[C 6HO 2(NO 2) 3] ( 2) was prepared in 85% yield by treatment of sodium styphnate with 2 equivalents of aminoguanidinium nitrate, followed by crystallization from aqueous solution. Compound 2 crystallizes in the triclinic space group P¨© with unit cell dimensions a = 6.7224(3) £¿, b = 10.7473(4) £¿, c = 11.9604(5) £¿, ¦Á = 113.212(4)¡ã, ¦Â = 90.579(3)¡ã, ¦Ã = 99.815(3)¡ã, V = 779.68(6) £¿ 3, Z = 2. In the solid state structure of 2, no water of crystallization is present. Bond angles within the aromatic ring of the styphnate anion indicate a significant distortion with larger angles (122.04(18)¨C125.96(18) £¿) at the carbons bearing the nitro groups, and smaller ones (113.30(17) and 114.07(17) £¿) at the C-O £¿ carbon atoms. The crystal structure of 2 consists of layers formed by an extensive network of N-H ...O hydrogen bonds between NH 2 groups of the aminoguanidinium cation and the negatively charged oxygens of the styphnate anion. The layers are again interconnected by N-H ...N hydrogen bonds between neighboring aminoguanidinium cations.
%K high density energy materials
%K styphnates
%K aminoguanidinium styphnate
%K hydrogen bonds
%U http://www.mdpi.com/2073-4352/2/1/34