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Crystals 2011, 1(4), 236-243; doi:10.3390/cryst1040236

Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2·HPO3·H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2·HPO3·2.23H2O

Department of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, Scotland
Received: 25 August 2011 / Revised: 25 October 2011 / Accepted: 15 November 2011 / Published: 17 November 2011
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Abstract

The crystal structures of C5H14N2·HPO3·H2O (1) and C5H14N2·HPO3·2.23H2O (2) are described and compared. Compound 1 contains homochiral (S)-2-methyl piperizinium cations, hydrogen phosphite ions and water molecules. The components are linked by N–H⋯O and O–H⋯O hydrogen bonds into a three-dimensional network. In compound 2, racemic (R,S)-2-methyl piperizinium cations combine with the same anions and water molecules to generate a far more complex, high symmetry “supramolecular” structure, which features distinctive R66(12) loops and helical C(2) chain hydrogen-bonding motifs involving the water molecules. Crystal data: 1 (C5H17N2O4P), Mr = 200.18, orthorhombic, P212121 (No. 19), Z = 4, a = 8.564 (5) Å, b = 9.593 (6) Å, c = 11.607 (6) Å, V = 953.6 (9) Å3, R(F) = 0.066, wR(F2) = 0.081. 2 (C5H19.47N2O5.24P), Mr = 222.49, trigonal, (No. 148), Z = 18, a = 31.075 (2) Å, c = 6.1875 (4) Å, V = 5174.5 (6) Å3, R(F) = 0.044, wR(F2) = 0.107.
Keywords: molecular salt; supramolecular network; O–H⋯O hydrogen bonds molecular salt; supramolecular network; O–H⋯O hydrogen bonds
This is an open access article distributed under the Creative Commons Attribution License (CC BY 3.0).

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Harrison, W.T.A. Supramolecular Hydrogen-Bond Motifs in Chiral and Racemic Molecular Salts: A Comparison of (S)-2-Methyl Piperizinium Hydrogen Phosphite Monohydrate, C5H14N2·HPO3·H2O and (R,S)-2-Methyl Piperizinium Hydrogen Phosphite 2.23 Hydrate, C5H14N2·HPO3·2.23H2O. Crystals 2011, 1, 236-243.

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