Cyclohexane-based polyaminopolyalcohols (PAPAs) such as 1,3-diamino-1,2,3-trideoxy-cis-inositol (daci) have been prepared by hydrogenation of suitable aromatic precursors. The pentanuclear complex [Cu 5 (daci) 4 (H -2 daci) 2 ](SO 4 ) 3 ·18H 2 O (C3) revealed antiferromagnetic and ferromagnetic interactions between the Cu II centers with an S = 3/2 ground state.
The crystal structure of the title compound, C6H16N2O3
2+·2Cl−, has been reported previously by Palm [Acta Cryst. (1967 ▶), 22, 209–216] from Weisenberg camera data, with R1 = 10.5%, isotropic refinement of non-H atoms and H atoms not located. We remeasured a data set of the title compound and present a more precise structure determination. The asymmetric unit contains two unique 1,3-diammonio-1,2,3-trideoxy-cis-inositol cations and four Cl− counter-ions. The cyclohexane rings of both inositol cations adopt chair conformations with two axial hydroxy groups. An extended network of hydrogen bonds is formed. The four chloride counter ions are hydrogen bonded to the hydroxy and ammonium groups of the cations by N—H⋯Cl and O—H⋯Cl interactions. The cations are aligned into wavy layers by cation⋯cation interactions of the form N—H⋯O(ax), N—H⋯O(eq) and O(ax)—H⋯O(eq). Intramolecular hydrogen bonding between the axial hydroxy groups is, however, not observed.
In the crystal structure of the title compound, C6H16N2O3
2+·SO4
2−, each cation forms three O—H⋯O and five N—H⋯O hydrogen bonds to six neighbouring sulfate anions. In addition, interlinking of the cations by N—H⋯O interactions is also observed. The cyclohexane ring adopts a chair conformation with two axial hydroxy groups. Although the separation of 2.928 Å is almost ideal for a hydrogen bond, intramolecular hydrogen bonding between these two hydroxy groups is not observed.
In the title molecule, C6H4N2O7, the two nitro groups are tilted with respect to the aromatic ring by 11.2 (1) and 10.9 (1)°. All three hydroxy groups are involved in the formation of bifurcated intra- and intermolecular O—H...O hydrogen bonds. The crystal packing exhibits short O...O distances of 2.823 (2) Å between two O atoms of the nitro groups
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