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Issue 30, 2019
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The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol

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Abstract

On cooling to 229 K at ambient pressure, 2,2,2-trifluoroethanol freezes to form a crystal structure characterised by hydrogen-bonded molecular chains in the orthorhombic space group Pca21 (form 1). On compression to 0.22 GPa at room temperature, however, liquid 2,2,2-trifluoroethanol crystallises in a structure adopting triclinic P[1 with combining macron] symmetry (form 2). Although the form 1 and form 2 polymorphs are both characterised by the formation of hydrogen-bonded chains, the arrangement of the molecules within the chains are significantly different with the high-pressure form appearing to adopt a more strained configuration. The orientation of the molecules in form 2 is such that the hydrogen bonds in neighbouring chains are in close proximity with a bridging interchain O⋯O contact distance that is of the same order as the O⋯O distances found for the hydrogen bonds. The resulting close pairing of neighbouring catemeric chains produces molecular pillars in the structure of form 2.

Graphical abstract: The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol

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The article was received on 01 Apr 2019, accepted on 14 May 2019 and first published on 07 Jun 2019


Article type: Paper
DOI: 10.1039/C9CE00485H
CrystEngComm, 2019,21, 4501-4506
  • Open access: Creative Commons BY license
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    The high-pressure and low-temperature structural behaviour of 2,2,2-trifluoroethanol

    S. A. Barnett and D. R. Allan, CrystEngComm, 2019, 21, 4501
    DOI: 10.1039/C9CE00485H

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