2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine

Hiroyuki Ishida, Bilkish Rahman, Setsuo Kashino

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

The crystal structures of 2-chloro-4-nitrobenzoic acid-pyrazine and 2-chloro-5-nitrobenzoic acid-pyrazine complexes prepared from pyrazine as an amine having small proton affinities (PA) were determined at room temperature. The complexes formed hydrogen bonds located on inversion centres and a ribbon structure. Geometries were compared with those of isolated molecules in the gas phase by carrying out molecular orbital calculations by using computer programs. The optimized geometries confirmed to a potential energy minimum from vibrational analysis.

Original languageEnglish
Pages (from-to)876-879
Number of pages4
JournalActa Crystallographica Section C: Crystal Structure Communications
Volume57
Issue number7
DOIs
Publication statusPublished - Jul 1 2001

ASJC Scopus subject areas

  • Biochemistry, Genetics and Molecular Biology(all)

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