Wydział Chemii

Łukasz Wołoszyn

Maria M. Ilczyszyn

Vasyl V. Kinzhybalo

2019

Acta Crystallographica Section C: Structural Chemistry

C75

1569-1579

10.1107/s2053229619014402

Naukowa

Angielski

Artykuł

Thermal analysis, X-ray diffraction and temperature-dependent IR spectroscopy were used to study the dehydration process of crystalline DL -phenyl­glycinium tri­fluoro­methane­sulfonate monohydrate (PGTFH), C8H10NO2+·CF3SO3−·H2O. PGTFH dehydrates in one step centred at 353 K and crystallizes in the monoclinic space group C2/c, whereas the anhydrous compound (PGTF) crystallizes in the triclinic space group P[\overline{1}]. The dehydration process in PGTFH is preceded by a weakening of both the noncovalent aromatic–aromatic inter­actions and the packing contacts. This process is accom­panied by the breakage of medium-strength O—H⋯O hydrogen bonds between ions inside layers and a reorganization of the ions within the layers. This reorganization results in the formation of two different ion pairs ( DL -phenyl­glycinium tri­fluoro­methane­sulfonate) and the formation of a new hydrogen-bond network. The dehydration process does not destroy the nature of the crystal structure. Both crystals, i.e. hydrated and anhydrous, have a layered structure, although the layers of each crystal are arranged somewhat differently.

phenyl­glycinium, tri­fluoro­methane­sulfonate, dehydration, crystal structure

http://dx.doi.org/10.1107/s2053229619014402