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 language | English |
|---|---|
| Pages (from-to) | 876-879 |
| Number of pages | 4 |
| Journal | Acta Crystallographica Section C: Crystal Structure Communications |
| Volume | 57 |
| Issue number | 7 |
| DOIs | |
| Publication status | Published - Jul 1 2001 |
ASJC Scopus subject areas
- Biochemistry, Genetics and Molecular Biology(all)