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

20 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 2001

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Pyrazines
pyrazines
acids
Orbital calculations
Geometry
Molecular orbitals
geometry
Potential energy
ribbons
Amines
affinity
Protons
Computer program listings
Hydrogen
molecular orbitals
Hydrogen bonds
amines
Software
Crystal structure
Gases

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Structural Biology

Cite this

2 : 1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine. / Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo.

In: Acta Crystallographica Section C: Crystal Structure Communications, Vol. 57, No. 7, 07.2001, p. 876-879.

Research output: Contribution to journalArticle

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