Acta Crystallographica Section B

Structural Science

Volume 57, Part 1 (February 2001)



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Acta Cryst. (2001). B57, 95-102    [doi:10.1107/S0108768100014841]

Ethane-1,2-diphosphonic acid as a building block in supramolecular chemistry; a pillared-layer framework and framework-encapsulated cations

P. S. Wheatley, A. J. Lough, G. Ferguson, C. J. Burchell and C. Glidewell

Abstract: The 1:1 adduct of piperazine and ethane-1,2-diphosphonic acid is a salt [C4H12N2]2+·[C2H6O6P2]2-, in which both ions lie across centres of inversion in space group P21/c. The anions are linked by a single type of O-H...O hydrogen bond [O...O, 2.562  (3)  Å; H...O, 1.73  Å, O-H...O, 169°] into (6, 3) nets built from a single type of R^4_4(22) ring. The cations lie between these nets, linked to them by two types of N-H...O hydrogen bond [N...O, 2.635  (3) and 2.735  (3)  Å; H...O 1.72 and 1.82  Å, N-H...O, 175 and 177°] such that the cations link adjacent sheets, thus forming a pillared-layer framework. The aquated adduct formed between trimethylenedipiperidine and ethane-1,2-diphosphonic acid is also a salt [C13H28N2]2+·[C2H6O6P2]2-·2.8[H2O], in which there are 12 different types of hydrogen bond, eight O-H...O and four N-H...O. The anions are linked into chains by pairs of O-H...O hydrogen bonds and these chains are linked by the water molecules into a continuous three-dimensional framework. Within the anion/water framework are large voids which contain pairs of cations, linked to the framework by N-H...O hydrogen bonds.

Online 1 February 2001


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