MOLECULAR CO-CRYSTALS OF CARBOXYLIC-ACIDS .16. 1/1-ADDUCT OF 3-NITROBENZOIC ACID WITH 3-AMINO-1H-1,2,4-TRIAZOLE

被引：17
|
作者：
LYNCH, DE
SMITH, G
BYRIEL, KA
KENNARD, CHL
机构：
[1] QUEENSLAND UNIV TECHNOL,SCH CHEM,BRISBANE,QLD 4001,AUSTRALIA
[2] UNIV QUEENSLAND,DEPT CHEM,BRISBANE,QLD 4072,AUSTRALIA
来源：
ACTA CRYSTALLOGRAPHICA SECTION C-CRYSTAL STRUCTURE COMMUNICATIONS | 1994年 / 50卷
关键词：
D O I：
10.1107/S0108270193012260
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The structure of the 1:1 molecular adduct of 3-nitrobenzoic acid with the herbicide amitrole (3-amino-1 H-1,2,4-triazole), 3-amino-1H, 4H(+)-1,2,4-triazolium 3-nitrobenzoate, C2H5N4+.C7H4NO4-, [(3-AT)(3-NBA)], has been determined by X-ray diffraction. There are two independent but similar cyclic hydrogen-bonded hetero-dimers in the crystallographic asymmetric unit, with hydrogen bonds involving the carboxyl O atoms of the acid and both a heterocyclic N atom and an amine N atom of an amitrole [O...N 2.677-2.951 (3) Angstrom]. The dimers also form into a ribbon-chain polymer structure.
引用
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页码：1291 / 1294
页数：4
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