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 |
|---|---|
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 67 |
| Issue number | 12 |
| DOIs | |
| Publication status | Published - Dec 2011 |
Fingerprint
Keywords
- data-to-parameter ratio = 19.0
- mean σ(C-C) = 0.001 Å
- R factor = 0.029
- single-crystal X-ray study
- T = 110 K
- wR factor = 0.081
ASJC Scopus subject areas
- Condensed Matter Physics
- Materials Science(all)
- Chemistry(all)
Cite this
4-Chloro-2-nitrobenzoic acidpyrazine (2/1). / Gotoh, Kazuma; Ishida, Hiroyuki.
In: Acta Crystallographica Section E: Structure Reports Online, Vol. 67, No. 12, 12.2011.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - 4-Chloro-2-nitrobenzoic acidpyrazine (2/1)
AU - Gotoh, Kazuma
AU - Ishida, Hiroyuki
PY - 2011/12
Y1 - 2011/12
N2 - 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.
AB - 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.
KW - data-to-parameter ratio = 19.0
KW - mean σ(C-C) = 0.001 Å
KW - R factor = 0.029
KW - single-crystal X-ray study
KW - T = 110 K
KW - wR factor = 0.081
UR - http://www.scopus.com/inward/record.url?scp=83155163815&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=83155163815&partnerID=8YFLogxK
U2 - 10.1107/S1600536811046113
DO - 10.1107/S1600536811046113
M3 - Article
VL - 67
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
SN - 1600-5368
IS - 12
ER -