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

页码：1291 / 1294

页数：4

共 10 条

[1] MOLECULAR COCRYSTALS OF CARBOXYLIC-ACIDS .9. CARBOXYLIC-ACID INTERACTIONS WITH ORGANIC HETEROCYCLIC BASES - THE CRYSTAL-STRUCTURES OF THE ADDUCTS OF (2,4-DICHLOROPHENOXY)ACETIC ACID WITH 3-HYDROXYPYRIDINE, 2,4,6-TRINITROBENZOIC ACID WITH 2-AMINOPYRIMIDINE, AND 4-NITROBENZOIC ACID WITH 3-AMINO-1,2,4-TRIAZOLE [J].