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)
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Ishida, H., Rahman, B., & Kashino, S. (2001). 2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine. Acta Crystallographica Section C: Crystal Structure Communications, 57(7), 876-879. https://doi.org/10.1107/S0108270101007016