title: Redetermination of 1,3-diammonio-1,2,3-tride-oxy-cis-inositol dichloride.
abstract: The crystal structure of the title compound, C(6)H(16)N(2)O(3) (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-tride-oxy-cis-inositol cations and four Cl(-) counter-ions. The cyclo-hexane rings of both inositol cations adopt chair conformations with two axial hy-droxy 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.
authors.affiliation: Fachrichtung Chemie, Universität des Saarlandes, Postfach 151150, D-66041 Saarbrücken,  Germany.
authors.forename: Christian
authors.initials: C
authors.lastname: Neis
authors.forename: Günter J
authors.initials: GJ
authors.lastname: Merten
authors.forename: Philipp
authors.initials: P
authors.lastname: Altenhofer
authors.forename: Kaspar
authors.initials: K
authors.lastname: Hegetschweiler