Abstract
The title compound (systematic name: 4-carboxypyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate monohydrate), C 6H6NO2+·C6HCl 2O4-·H2O, is a monohydrate salt of chloranilic acid (2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone) with isonicotinic acid (pyridine-4-carboxylic acid), in which an acid-base interaction involving a proton transfer is observed from the chloranilic acid to the pyridine group of isonicotinic acid. In the crystal structure, the 4-carboxypyridinium cation, the hydrogen chloranilate anion and the water molecule are held together through N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, forming a chain. The chains are further linked by O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional hydrogen-bond network.
| Original language | English |
|---|---|
| Journal | Acta Crystallographica Section E: Structure Reports Online |
| Volume | 62 |
| Issue number | 10 |
| DOIs | |
| Publication status | Published - Oct 2006 |
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ASJC Scopus subject areas
- Condensed Matter Physics
- Structural Biology
Cite this
4-Carboxypyridinium hydrogen chloranilate monohydrate. / Gotoh, Kazuma; Tabuchi, Youhei; Akashi, Haruo; Ishida, Hiroyuki.
In: Acta Crystallographica Section E: Structure Reports Online, Vol. 62, No. 10, 10.2006.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - 4-Carboxypyridinium hydrogen chloranilate monohydrate
AU - Gotoh, Kazuma
AU - Tabuchi, Youhei
AU - Akashi, Haruo
AU - Ishida, Hiroyuki
PY - 2006/10
Y1 - 2006/10
N2 - The title compound (systematic name: 4-carboxypyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate monohydrate), C 6H6NO2+·C6HCl 2O4-·H2O, is a monohydrate salt of chloranilic acid (2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone) with isonicotinic acid (pyridine-4-carboxylic acid), in which an acid-base interaction involving a proton transfer is observed from the chloranilic acid to the pyridine group of isonicotinic acid. In the crystal structure, the 4-carboxypyridinium cation, the hydrogen chloranilate anion and the water molecule are held together through N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, forming a chain. The chains are further linked by O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional hydrogen-bond network.
AB - The title compound (systematic name: 4-carboxypyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate monohydrate), C 6H6NO2+·C6HCl 2O4-·H2O, is a monohydrate salt of chloranilic acid (2,5-dichloro-3,6-dihydroxy-1,4-benzoquinone) with isonicotinic acid (pyridine-4-carboxylic acid), in which an acid-base interaction involving a proton transfer is observed from the chloranilic acid to the pyridine group of isonicotinic acid. In the crystal structure, the 4-carboxypyridinium cation, the hydrogen chloranilate anion and the water molecule are held together through N-H⋯O, O-H⋯O and C-H⋯O hydrogen bonds, forming a chain. The chains are further linked by O-H⋯O and C-H⋯O hydrogen bonds, forming a three-dimensional hydrogen-bond network.
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U2 - 10.1107/S1600536806036464
DO - 10.1107/S1600536806036464
M3 - Article
VL - 62
JO - Acta Crystallographica Section E: Structure Reports Online
JF - Acta Crystallographica Section E: Structure Reports Online
SN - 1600-5368
IS - 10
ER -