Acta Crystallographica Section B

Structural Science

Volume 61, Part 1 (February 2005)


research papers



Acta Cryst. (2005). B61, 103-114    [ doi:10.1107/S0108768104029684 ]

Supramolecular structures of 1-phenylethylammonium tartrates

D. E. Turkington, E. J. MacLean, A. J. Lough, G. Ferguson and C. Glidewell

Abstract: The structures of six 1-phenylethylammonium tartrates have been determined and in each of them a distinctive hydrogen-bonded anion substructure can be identified. (S)-1-Phenylethylammonium (R,R)-hydrogen tartrate [(I), P21, Z' = 1] contains anion sheets built from a single type of R_4^4(22) ring with cations pendent, via three N-H...O hydrogen bonds, from just one face of the sheet. (S)-1-Phenylethylammonium rac-hydrogen tartrate [(II), P21, Z' = 2] and its enantiomorph (R)-1-phenylethylammonium rac-hydrogen tartrate [(III), P21, Z'= 2] contain anion sheets built from four types of ring, R_2^2(10), R_2^2(12), R^4_2(14) and R_4^4(20), and there are cations pendent from both faces of the sheet. The anion substructure in bis[(S)-1-phenylethylammonium] (R,R)-tartrate [(IV), P21, Z' = 1] consists of simple C(5) chains, which are linked into sheets by the cations, while in bis(rac-1-phenylethylammonium) (R,R)-tartrate [(V), P21, Z' = 2] there are anion sheets containing two distinct types of R_4^4(22) ring, with equal numbers of (R) and (S) cations pendent from each face of the anion sheet. Bis[(R)-1-phenylethylammonium] rac-tartrate methanol hemisolvate [(VI), P1, Z' = 4, with 14 independent components in the asymmetric unit] contains anion sheets built from two types of R_2^2(12) ring and two types of R_6^6(32) ring; half of the cations and half of the methanol molecules are pendent from each face of the sheet.

Keywords: supramolecular structures; hydrogen bonding; graph-set analysis; tartrate salts.


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Structure factor file (CIF format) (72.3 kbytes)
Contains datablock I


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Structure factor file (CIF format) (156.5 kbytes)
Contains datablock inv


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Structure factor file (CIF format) (151.9 kbytes)
Contains datablock dt16


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Structure factor file (CIF format) (119.6 kbytes)
Contains datablock dt19


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Structure factor file (CIF format) (279.1 kbytes)
Contains datablock V


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Structure factor file (CIF format) (468.2 kbytes)
Contains datablock dt21


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