Acta Crystallographica Section B

Structural Science

Volume 59, Part 1 (February 2003)

research papers

Acta Cryst. (2003). B59, 87-99 [ doi:10.1107/S010876810201858X ]

Phosphonoacetic acid as a building block in supramolecular chemistry: salts with organic polyamines

K. F. Bowes, G. Ferguson, A. J. Lough, C. M. Zakaria and C. Glidewell

Abstract: Phosphonoacetic acid, (HO)₂P(O)CH₂COOH, forms adducts with a range of amines. The acid component in these adducts may be the neutral molecule C₂H₅O₅P, the mono-anion (C₂H₄O₅P)^- or the di-anion (C₂H₃O₅P)^2-. The substructure formed by the acid component takes the form of simple chains in compounds (1)-(3), which are the 1:1 adducts formed with 1,4-diazabicyclo[2.2.2]octane, 4,4'-bipyridyl and 1,3-trimethylenedipiperidine, respectively. These adducts contain C₂H₅O₅P, (C₂H₄O₅P)^- and (C₂H₃O₅P)^2-, respectively, although (3) is solvated by a mixture of methanol and water. The (C₂H₄O₅P)^- anion substructure in (4), which is the adduct formed with meso-5,5,7,12,12,14-hexa-C-methyl-1,4,8,11-tetraazacyclotetradecane, is a chain of spiro-fused rings, while the substructure in (5), which is the adduct formed with 2,2'-dipyridylamine, is a chain of edge-fused rings. In (6), the adduct formed with 1,2-bis(4'-pyridyl)ethane, the anion substructure is two-dimensional. The chain substructures are linked by the amine units into two-dimensional structures in (1) and (4) and into three-dimensional frameworks in (2), (3) and (5), while the anion sheets in (6) are likewise linked by the amine units into a three-dimensional framework.

Keywords: phosphonoacetic acid; supramolecular chemistry; organic polyamines.


	Structure factor file (CIF format) (54.4 kbytes) Contains datablock I

	Structure factor file (CIF format) (138.7 kbytes) Contains datablock II

	Structure factor file (CIF format) (428.7 kbytes) Contains datablock III

	Structure factor file (CIF format) (154.4 kbytes) Contains datablock IV

	Structure factor file (CIF format) (151.1 kbytes) Contains datablock V

	Structure factor file (CIF format) (111.3 kbytes) Contains datablock VI

Notes:

To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.