2-METHYLPYRIDINIUM SALT OF PENTAIODOBENZOIC ACID: ROLE OF THE HALOGEN BOND IN THE FORMATION OF A CRYSTAL PACKING

M. A. Bondarenko, A. S. Novikov, K. V. Chernova, M. N. Sokolov, S. A. Adonin

Research output: Contribution to journalArticlepeer-review

Abstract

Abstract: In the reaction of pentaiodobenzoic acid (PIBA) and 2-methylpyridine in N,N′-dimethylformamide (2-MePyH)PIBA·DMF salt (1) is formed, whose structure is studied by X-ray crystallography. The structure of 1 contains noncovalent interactions of the I⋯O type of the halogen bond, whose energies are estimated by quantum chemical calculations.

Original languageEnglish
Pages (from-to)1237-1242
JournalJournal of Structural Chemistry
Volume62
Issue number8
DOIs
StatePublished - Aug 2021

Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

Keywords

  • carboxylic acids
  • crystal structure
  • halogen bond
  • noncovalent interactions
  • quantum chemical calculations

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