Abstract
In the title co-crystal, 2C7H4ClNO 4·C4H4N2, the pyrazine molecule is located on an inversion centre, so that the asymmetric unit consists of one molecule of 4-chloro-2-nitrobenzoic acid and a half-molecule of pyrazine. The components are connected by O-H⋯N and C - H⋯O hydrogen bonds, forming a 2:1 unit. In the hydrogen-bonded unit, the dihedral angle between the pyrazine ring and the benzene ring of the benzoic acid is 16.55 (4)°. The units are linked by intermolecular C-H⋯O hydrogen bonds, forming a sheet structure parallel to (1̄04). A C-H⋯O hydrogen-bond linkage is also observed between these sheets.
| Original language | English |
|---|---|
| Pages (from-to) | o3222 |
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 67 |
| Issue number | 12 |
| DOIs | |
| Publication status | Published - Dec 2011 |
Keywords
- R factor = 0.029
- T = 110 K
- data-to-parameter ratio = 19.0
- mean σ(C-C) = 0.001 Å
- single-crystal X-ray study
- wR factor = 0.081
ASJC Scopus subject areas
- Chemistry(all)
- Materials Science(all)
- Condensed Matter Physics