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.
|Number of pages||4|
|Journal||Acta Crystallographica Section C: Crystal Structure Communications|
|Publication status||Published - Jul 1 2001|
ASJC Scopus subject areas
- Biochemistry, Genetics and Molecular Biology(all)