Jump to main content
Jump to site search

Issue 10, 2017
Previous Article Next Article

Are fluorine-based contacts predictable? A case study in three similar coordination compounds

Author affiliations

Abstract

The crystal structures of three similar Hg(II) complexes including the N-(2,5-difluorophenyl)-2-pyrazinecarboxamide ligand were determined by X-ray diffraction. In each structure, the fluorine atoms were involved in different, non-predictable fluorine-based contacts. Quantitative analysis of the potential surface and interaction energy calculations were performed for the different interactions involving fluorine.

Graphical abstract: Are fluorine-based contacts predictable? A case study in three similar coordination compounds

Back to tab navigation

Supplementary files

Publication details

The article was received on 19 Dec 2016, accepted on 08 Feb 2017 and first published on 08 Feb 2017


Article type: Communication
DOI: 10.1039/C6CE02598F
CrystEngComm, 2017,19, 1361-1365

  •   Request permissions

    Are fluorine-based contacts predictable? A case study in three similar coordination compounds

    H. R. Khavasi and N. Rahimi, CrystEngComm, 2017, 19, 1361
    DOI: 10.1039/C6CE02598F

Search articles by author

Spotlight

Advertisements