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The first structural studies on trithiocyanuric acid: the solid state structures of its HMPA adduct and its mono-lithiated HMPA complex

Authors
Journal
Inorganic Chemistry Communications
1387-7003
Publisher
Elsevier
Publication Date
Volume
1
Issue
2
Identifiers
DOI: 10.1016/s1387-7003(98)00015-x
Keywords
  • Crystal Structures
  • Trithiocyanuric Acid
  • Hydrogen Bonding

Abstract

Abstract Reaction of Bu nLi with trithiocyanuric acid (LH 3) in toluene/HMPA yielded a mono-lithiated species, [(LH 2Li)·HMPA 2] ( 1) shown by X-ray crystallography to have an unprecedented monomeric structure, while crystallisation of trithiocyanuric acid from toluene/HMPA gave a 1:1 adduct, [(LH 3)·HMPA] ( 2), which has an extensive hydrogen-bonded structure governed by N–H⋯S and N–H⋯O interactions; in both 1 and 2 the trithiocyanuric acid unit exists in the thio-keto form in which the hydrogen atoms are nitrogen-bound.

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