Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-1,6-diaminium hexane-1,6-diyl bis­(hydrogen phospho­nate)

Acta Crystallographica Section E: Crystallographic Communications

Frank, W.¹  Reiss, G.J.¹  Megen, M. van¹ 

[1] Institut für Anorganische Chemie und Strukturchemie, Lehrstuhl II: Material- und Strukturforschung, Heinrich-Heine-Universität Düsseldorf, Universitätsstrasse 1, D-40225 Düsseldorf, Germany

关键词: CRYSTAL STRUCTURE;    HYDROGEN BONDING;    PHOSPHONATES;    HERRINGBONE PATTERN;    CRYSTAL ENGINEERING;   

DOI  :  10.1107/S2056989016019873

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The asymmetric unit of the title salt, [H3N(CH2)6NH3][(HO)O2P(CH2)6PO2(OH)], consists of one half of a hexane-1,6-diaminium dication and one half of a hexane-1,6-diyl bis­(hydrogen phospho­nate) dianion. Both are located around different centres of inversion (Wyckoff sites: 2a and 2d) of the space group P21/c. The shape of the hexane-1,6-diaminium cation is best described as a double hook. Both aminium groups as well as the two attached CH2 groups are turned out from the plane of the central four C atoms. In contrast, all six C atoms of the dianion are almost in a plane. The hydrogen phospho­nate (–PO3H) groups of the anions and the aminium groups of the cations form two-dimensional O—H⋯ and O—H⋯N hydrogen-bonded networks parallel to the ac plane, built up from ten-membered and twelve-membered ring motifs with graph-set descriptors R33(10) and R54(12), respectively. These networks are linked by the alkyl­ene chains of the anions and cations. The resulting three-dimensional network shows a herringbone pattern, which resembles the parent structures 1,6-di­amino­hexane and hexane-1,6-di­phospho­nic acid.

【 授权许可】

CC BY