4-Carboxypyridinium hydrogen chloranilate monohydrate

被引:5
作者
Gotoh, Kazuma
Tabuchi, Youhei
Akashi, Haruo
Ishida, Hiroyuki [1 ]
机构
[1] Okayama Univ, Fac Sci, Dept Chem, Okayama 7008530, Japan
[2] Okayama Univ Sci, Res Inst Nat Sci, Okayama 7000005, Japan
来源
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2006年 / 62卷
关键词
D O I
10.1107/S1600536806036464
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The title compound ( systematic name: 4-carboxypyridinium 2,5-dichloro-4-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-olate monohydrate), C6H6NO2 (+) center dot C6HCl2O4+ center dot 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 center dot center dot center dot O, O H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds, forming a chain. The chains are further linked by O-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds, forming a three-dimensional hydrogen-bond network.
引用
收藏
页码:O4420 / O4421
页数:2
相关论文
共 5 条
[1]   SIR92 - a program for automatic solution of crystal structures by direct methods [J].
ALTOMARE, A ;
CASCARANO, G ;
GIACOVAZZO, G ;
GUAGLIARDI, A ;
BURLA, MC ;
POLIDORI, G ;
CAMALLI, M .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1994, 27 :435-435
[3]   H-transfer motions in an H-bonded (chloranilic acid)-(1,3-diazine) 1:2 molecular complex studied by 35Cl NQR and 1H NMR [J].
Ikeda, R ;
Takahashi, S ;
Nihei, T ;
Ishihara, H ;
Ishida, H .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 2005, 78 (07) :1241-1245
[4]   Single-crystal structure validation with the program PLATON [J].
Spek, AL .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 2003, 36 :7-13
[5]   2-Carboxypyridinium hydrogen chloranilate [J].
Tabuchi, Y ;
Takahashi, A ;
Gotoh, K ;
Akashi, H ;
Ishida, H .
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2005, 61 :O4215-O4217