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

Research output: Contribution to journalArticle

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, R3 (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.

Original languageEnglish
Pages (from-to)236-243
Number of pages8
JournalCrystals
Volume1
Issue number4
DOIs
Publication statusPublished - 17 Nov 2011

Keywords

  • Molecular salt
  • O-H⋯O hydrogen bonds
  • Supramolecular network

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Materials Science(all)
  • Condensed Matter Physics
  • Inorganic Chemistry

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