Crystal structures of the hexafluoridophosphate salts of the isomeric 2-, 3- and 4-cyano-1-methylpyridinium cations and determination of solid-state interaction energies

Crystal structures of the hexafluoridophosphate salts of the isomeric 2-, 3- and 4-cyano-1-methylpyridinium cations and determination of solid-state interaction energies

The synthesis and crystal structures of the isomeric molecular salts 2-, 3- and 4-cyano-1-methylpyridinium hexafluoridophosphate, C7H7N2+·PF6−, are reported. In 2-cyano-1-methylpyridinium hexafluoridophosphate, C—H...F hydrogen bonds form chains extending along the c-axis direction, which are associ...

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Bibliographic Details
Main Authors: Joel T. Mague, Erin Larrabee, David Olivier, Francesca Vaccaro, Kevin E. Riley, Lynn V. Koplitz
Format: Article
Language:English
Published: International Union of Crystallography 2018-09-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
crystal structure
hexafluoridophosphate
cyanopyridinium salts
hydrogen bonds
DFT calculations
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989018011003

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http://scripts.iucr.org/cgi-bin/paper?S2056989018011003

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